Other peptides

Cas#: 185413-30-3        Compound CID:  16135237

Formula:  C₉₆H₁₂₃N₁₉O₂₂        Molecular Weight: 1895.12

IUPAC Name: (4S)-4-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

SMILES: CC(C)CC(C(=O)N)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3CCN3C(=O)C(CCC(=O)N)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)CNC(=O)C7CCCN7C(=O)C(C(C)O)NC(=O)C(CC8=CNC9=CC=CC=C98)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C

InChIKey: VASLMBMCJADVGR-XQDBXYBUSA-N

InChI: InChI=1S/C96H123N19O22/c1-51(2)41-69(83(98)124)107-92(133)77-24-16-38-113(77)95(136)75(42-52(3)4)111-84(125)53(5)102-86(127)71(44-57-25-29-61(118)30-26-57)110-93(134)78-37-40-115(78)94(135)68(33-35-79(97)120)106-88(129)72(45-58-27-31-62(119)32-28-58)108-89(130)73(46-59-48-99-65-21-13-11-19-63(59)65)104-80(121)50-101-91(132)76-23-15-39-114(76)96(137)82(54(6)116)112-90(131)74(47-60-49-100-66-22-14-12-20-64(60)66)109-85(126)67(34-36-81(122)123)105-87(128)70(103-55(7)117)43-56-17-9-8-10-18-56/h8-14,17-22,25-32,48-49,51-54,67-78,82,99-100,116,118-119H,15-16,23-24,33-47,50H2,1-7H3,(H2,97,120)(H2,98,124)(H,101,132)(H,102,127)(H,103,117)(H,104,121)(H,105,128)(H,106,129)(H,107,133)(H,108,130)(H,109,126)(H,110,134)(H,111,125)(H,112,131)(H,122,123)/t53-,54+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,82-/m0/s1

SMILES: CC(C[C@@H](C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@H](O)C)N)CC(C)C)C

InChIKey: ANAMCEKSRDPIPX-GFGQVAFXSA-N

InChI: InChI=1S/C31H53N9O6/c1-17(2)14-22(27(43)37-21(26(33)42)12-9-13-36-31(34)35)38-28(44)23(15-18(3)4)39-29(45)24(16-20-10-7-6-8-11-20)40-30(46)25(32)19(5)41/h6-8,10-11,17-19,21-25,41H,9,12-16,32H2,1-5H3,(H2,33,42)(H,37,43)(H,38,44)(H,39,45)(H,40,46)(H4,34,35,36)/t19-,21+,22+,23+,24+,25+/m1/s1

SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCC(=O)N)CCCCN)CC(=O)N)CCCNC(=N)N)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccccc1)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCNC(=N)N)CC(C)C)CCC(=O)N)CCC(=O)O

InChIKey: GFOZQXMKARUPQI-HYOAWBISSA-N

InChI: InChI=1S/C121H190N34O35/c1-10-65(8)98(153-115(185)87-32-23-53-155(87)118(188)97(64(6)7)152-100(170)71(124)56-67-24-13-11-14-25-67)116(186)151-85(57-68-26-15-12-16-27-68)114(184)154-99(66(9)156)117(187)150-84(58-69-33-35-70(157)36-34-69)102(172)136-60-92(162)137-76(40-46-94(164)165)106(176)148-83(55-63(4)5)112(182)145-77(37-43-88(125)158)107(177)141-74(30-21-51-133-120(129)130)104(174)147-82(54-62(2)3)111(181)146-78(38-44-89(126)159)108(178)144-80(42-48-96(168)169)109(179)140-73(29-18-20-50-123)103(173)143-79(41-47-95(166)167)110(180)142-75(31-22-52-134-121(131)132)105(175)149-86(59-91(128)161)113(183)139-72(28-17-19-49-122)101(171)135-61-93(163)138-81(119(189)190)39-45-90(127)160/h11-16,24-27,33-36,62-66,71-87,97-99,156-157H,10,17-23,28-32,37-61,122-124H2,1-9H3,(H2,125,158)(H2,126,159)(H2,127,160)(H2,128,161)(H,135,171)(H,136,172)(H,137,162)(H,138,163)(H,139,183)(H,140,179)(H,141,177)(H,142,180)(H,143,173)(H,144,178)(H,145,182)(H,146,181)(H,147,174)(H,148,176)(H,149,175)(H,150,187)(H,151,186)(H,152,170)(H,153,185)(H,154,184)(H,164,165)(H,166,167)(H,168,169)(H,189,190)(H4,129,130,133)(H4,131,132,134)/t65-,66+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,97-,98-,99-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O

InChIKey: LVRVABPNVHYXRT-BQWXUCBYSA-N

InChI: InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)/t64-,65+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,96-,97-,98-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O

InChIKey: NIJZPHVXEFJULR-XUPMJSFCSA-N

InChI: InChI=1S/C65H92N12O17/c1-8-37(6)54(75-61(89)49-20-15-29-77(49)64(92)53(36(4)5)74-56(84)43(66)31-39-16-11-9-12-17-39)62(90)73-48(32-40-18-13-10-14-19-40)60(88)76-55(38(7)78)63(91)72-47(33-41-21-23-42(79)24-22-41)57(85)68-34-51(81)69-44(26-28-52(82)83)58(86)71-46(30-35(2)3)59(87)70-45(65(93)94)25-27-50(67)80/h9-14,16-19,21-24,35-38,43-49,53-55,78-79H,8,15,20,25-34,66H2,1-7H3,(H2,67,80)(H,68,85)(H,69,81)(H,70,87)(H,71,86)(H,72,91)(H,73,90)(H,74,84)(H,75,89)(H,76,88)(H,82,83)(H,93,94)/t37-,38+,43-,44-,45-,46-,47-,48-,49-,53-,54-,55-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O

InChIKey: JVCLVMOMYGJGII-PIRXSRGKSA-N

InChI: InChI=1S/C122H189N39O35S/c1-9-63(6)96(159-114(191)87-29-20-49-161(87)117(194)95(62(4)5)158-98(175)70(123)52-65-21-12-10-13-22-65)115(192)155-83(53-66-23-14-11-15-24-66)112(189)160-97(64(7)163)116(193)156-82(54-67-30-32-69(164)33-31-67)110(187)157-86(59-162)113(190)151-79(38-43-94(173)174)107(184)153-81(51-61(2)3)109(186)150-76(35-40-89(125)166)103(180)144-73(27-18-47-138-121(131)132)101(178)152-80(44-50-197-8)108(185)147-75(34-39-88(124)165)104(181)149-78(37-42-93(171)172)106(183)145-72(26-17-46-137-120(129)130)100(177)148-77(36-41-92(169)170)105(182)146-74(28-19-48-139-122(133)134)102(179)154-84(56-90(126)167)111(188)143-71(25-16-45-136-119(127)128)99(176)140-58-91(168)142-85(118(195)196)55-68-57-135-60-141-68/h10-15,21-24,30-33,57,60-64,70-87,95-97,162-164H,9,16-20,25-29,34-56,58-59,123H2,1-8H3,(H2,124,165)(H2,125,166)(H2,126,167)(H,135,141)(H,140,176)(H,142,168)(H,143,188)(H,144,180)(H,145,183)(H,146,182)(H,147,185)(H,148,177)(H,149,181)(H,150,186)(H,151,190)(H,152,178)(H,153,184)(H,154,179)(H,155,192)(H,156,193)(H,157,187)(H,158,175)(H,159,191)(H,160,189)(H,169,170)(H,171,172)(H,173,174)(H,195,196)(H4,127,128,136)(H4,129,130,137)(H4,131,132,138)(H4,133,134,139)/t63-,64+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,95-,96-,97-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O

InChIKey: RMFLNSINIQWBNF-YJSHLDSISA-N

InChI: InChI=1S/C71H104N16O18/c1-8-40(6)58(85-66(100)53-22-16-32-87(53)69(103)57(39(4)5)84-60(94)46(72)34-42-17-11-9-12-18-42)67(101)83-52(35-43-19-13-10-14-20-43)65(99)86-59(41(7)88)68(102)82-51(36-44-23-25-45(89)26-24-44)61(95)77-37-55(91)78-47(28-30-56(92)93)62(96)81-50(33-38(2)3)64(98)79-48(27-29-54(73)90)63(97)80-49(70(104)105)21-15-31-76-71(74)75/h9-14,17-20,23-26,38-41,46-53,57-59,88-89H,8,15-16,21-22,27-37,72H2,1-7H3,(H2,73,90)(H,77,95)(H,78,91)(H,79,98)(H,80,97)(H,81,96)(H,82,102)(H,83,101)(H,84,94)(H,85,100)(H,86,99)(H,92,93)(H,104,105)(H4,74,75,76)/t40-,41+,46-,47-,48-,49-,50-,51-,52-,53-,57-,58-,59-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O

InChIKey: AAXICBFDLRONSR-YPJUOLRESA-N

InChI: InChI=1S/C111H179N33O34S/c1-9-58(6)89(142-105(173)78-26-19-48-144(78)108(176)88(118)57(4)5)106(174)141-76(51-60-20-11-10-12-21-60)104(172)143-90(59(7)145)107(175)140-75(52-61-27-29-62(146)30-28-61)92(160)126-54-83(151)127-67(34-40-85(153)154)96(164)138-74(50-56(2)3)102(170)136-69(32-38-80(115)148)97(165)131-65(24-17-46-123-110(119)120)94(162)137-72(43-49-179-8)101(169)133-68(31-37-79(114)147)98(166)135-71(36-42-87(157)158)99(167)130-64(23-14-16-45-113)93(161)134-70(35-41-86(155)156)100(168)132-66(25-18-47-124-111(121)122)95(163)139-77(53-82(117)150)103(171)129-63(22-13-15-44-112)91(159)125-55-84(152)128-73(109(177)178)33-39-81(116)149/h10-12,20-21,27-30,56-59,63-78,88-90,145-146H,9,13-19,22-26,31-55,112-113,118H2,1-8H3,(H2,114,147)(H2,115,148)(H2,116,149)(H2,117,150)(H,125,159)(H,126,160)(H,127,151)(H,128,152)(H,129,171)(H,130,167)(H,131,165)(H,132,168)(H,133,169)(H,134,161)(H,135,166)(H,136,170)(H,137,162)(H,138,164)(H,139,163)(H,140,175)(H,141,174)(H,142,173)(H,143,172)(H,153,154)(H,155,156)(H,157,158)(H,177,178)(H4,119,120,123)(H4,121,122,124)/t58-,59+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,88-,89-,90-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O

InChIKey: MGEPJYBDTTYXQQ-AKGJPERPSA-N

InChI: InChI=1S/C107H165N29O31S/c1-9-57(6)86(134-101(162)77-28-20-47-136(77)104(165)85(56(4)5)133-88(149)63(109)50-59-21-12-10-13-22-59)102(163)131-75(51-60-23-14-11-15-24-60)100(161)135-87(58(7)137)103(164)130-74(52-61-29-31-62(138)32-30-61)89(150)119-54-81(142)120-67(35-40-82(143)144)93(154)129-73(49-55(2)3)99(160)127-69(34-39-79(111)140)94(155)122-65(26-18-45-117-106(113)114)91(152)128-72(43-48-168-8)98(159)124-68(33-38-78(110)139)95(156)126-71(37-42-84(147)148)96(157)121-64(25-16-17-44-108)90(151)125-70(36-41-83(145)146)97(158)123-66(27-19-46-118-107(115)116)92(153)132-76(105(166)167)53-80(112)141/h10-15,21-24,29-32,55-58,63-77,85-87,137-138H,9,16-20,25-28,33-54,108-109H2,1-8H3,(H2,110,139)(H2,111,140)(H2,112,141)(H,119,150)(H,120,142)(H,121,157)(H,122,155)(H,123,158)(H,124,159)(H,125,151)(H,126,156)(H,127,160)(H,128,152)(H,129,154)(H,130,164)(H,131,163)(H,132,153)(H,133,149)(H,134,162)(H,135,161)(H,143,144)(H,145,146)(H,147,148)(H,166,167)(H4,113,114,117)(H4,115,116,118)/t57-,58+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,85-,86-,87-/m0/s1