Endogenous peptide in human, mouse or rat

Cas#: 669089-53-6        Compound CID:  11520939

Formula:  C₅₁H₆₆N₁₀O₁₂S₂        Molecular Weight: 1075.26

IUPAC Name: (2S)-2-[[(4R,7S,10S,13R,16S,19S)-19-[[(2S)-2-amino-3-carboxypropanoyl]amino]-10-(3-aminopropyl)-16-benzyl-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoic acid

SMILES: CC(C)C(C(=O)O)NC(=O)C1CSSC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCN)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)NC(=O)C(CC(=O)O)N)(C)C

InChIKey: VXLUBANOZQJZFE-QVKHRKAHSA-N

InChI: InChI=1S/C51H66N10O12S2/c1-27(2)41(50(72)73)60-48(70)39-26-74-75-51(3,4)42(61-43(65)33(53)24-40(63)64)49(71)58-37(21-28-11-6-5-7-12-28)45(67)57-38(23-30-25-54-34-14-9-8-13-32(30)34)47(69)55-35(15-10-20-52)44(66)56-36(46(68)59-39)22-29-16-18-31(62)19-17-29/h5-9,11-14,16-19,25,27,33,35-39,41-42,54,62H,10,15,20-24,26,52-53H2,1-4H3,(H,55,69)(H,56,66)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,61,65)(H,63,64)(H,72,73)/t33-,35-,36-,37-,38+,39-,41-,42-/m0/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)N[C@H](C(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)O)CO)CC(=O)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=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](NC(=O)[C@H](CCCCN)N)CCCN=C(N)N)CC(C)C)C)CC(C)C)Cc1ccccc1)CC(=O)N)Cc1ccc(cc1)O)Cc1ccccc1)CC(=O)O)CC(C)C)CCC(=O)N

InChIKey: USZLWOIXWADXRT-HXRUCQLXSA-N

InChI: InChI=1S/C127H181N31O34/c1-67(2)52-84(145-110(175)81(36-23-49-136-127(134)135)140-107(172)78(130)33-19-21-47-128)108(173)138-65-102(164)139-70(7)106(171)144-85(53-68(3)4)113(178)146-88(56-72-28-13-9-14-29-72)116(181)154-94(61-101(133)163)124(189)157-50-24-38-98(157)123(188)153-90(58-74-39-41-76(160)42-40-74)115(180)147-89(57-73-30-15-10-16-31-73)117(182)155-95(63-105(169)170)125(190)158-51-25-37-97(158)122(187)152-86(54-69(5)6)112(177)142-82(43-45-99(131)161)111(176)149-91(59-75-64-137-79-34-18-17-32-77(75)79)118(183)141-80(35-20-22-48-129)109(174)150-92(60-100(132)162)119(184)156-96(66-159)121(186)151-93(62-104(167)168)120(185)148-87(55-71-26-11-8-12-27-71)114(179)143-83(126(191)192)44-46-103(165)166/h8-18,26-32,34,39-42,64,67-70,78,80-98,137,159-160H,19-25,33,35-38,43-63,65-66,128-130H2,1-7H3,(H2,131,161)(H2,132,162)(H2,133,163)(H,138,173)(H,139,164)(H,140,172)(H,141,183)(H,142,177)(H,143,179)(H,144,171)(H,145,175)(H,146,178)(H,147,180)(H,148,185)(H,149,176)(H,150,174)(H,151,186)(H,152,187)(H,153,188)(H,154,181)(H,155,182)(H,156,184)(H,165,166)(H,167,168)(H,169,170)(H,191,192)(H4,134,135,136)/t70-,78-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-/m0/s1

SMILES: NCCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](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](CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](CC)C)Cc1c[nH]c2c1cccc2)CCC(=O)O)CO)C(C)C)CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CC(=O)O)CCCCN)Cc1ccc(cc1)O)[C@H](CC)C)C(C)C)C(C)C

InChIKey: JXASPFJVDIPKEB-XNSPQFCGSA-N

InChI: InChI=1S/C127H204N30O39S2/c1-14-66(10)100-123(191)152-99(65(8)9)122(190)151-98(64(6)7)120(188)141-82(44-47-94(166)167)109(177)136-76(32-19-24-48-128)105(173)135-78(34-21-26-50-130)108(176)145-86(57-96(170)171)126(194)157-53-29-37-91(157)119(187)140-79(35-22-27-51-131)106(174)137-80(36-23-28-52-132)111(179)156-103(69(13)160)125(193)149-90(62-198-197-61-89(148-112(180)85(56-95(168)169)142-104(172)74(133)42-45-92(162)163)117(185)138-77(33-20-25-49-129)107(175)143-83(113(181)153-100)54-70-38-40-72(161)41-39-70)118(186)146-88(60-159)116(184)150-97(63(4)5)121(189)147-87(59-158)115(183)139-81(43-46-93(164)165)110(178)144-84(55-71-58-134-75-31-18-17-30-73(71)75)114(182)154-101(67(11)15-2)124(192)155-102(127(195)196)68(12)16-3/h17-18,30-31,38-41,58,63-69,74,76-91,97-103,134,158-161H,14-16,19-29,32-37,42-57,59-62,128-133H2,1-13H3,(H,135,173)(H,136,177)(H,137,174)(H,138,185)(H,139,183)(H,140,187)(H,141,188)(H,142,172)(H,143,175)(H,144,178)(H,145,176)(H,146,186)(H,147,189)(H,148,180)(H,149,193)(H,150,184)(H,151,190)(H,152,191)(H,153,181)(H,154,182)(H,155,192)(H,156,179)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,195,196)/t66-,67-,68-,69+,74-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,97-,98-,99-,100-,101-,102-,103-/m0/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)N[C@H](C(=O)N[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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)CC(=O)O)C(C)C)Cc1ccc(cc1)O)[C@H](CC)C)CC(=O)N)[C@H](CC)C)CC(C)C)Cc1ccc(cc1)O)CC(=O)O)CC(C)C)CCCN=C(N)N)CO)Cc1ccc(cc1)O)CCCN=C(N)N)N

InChIKey: CCMVMLBWJFAFRO-IAMXVIFYSA-N

InChI: InChI=1S/C97H153N25O27/c1-13-51(10)77(93(146)115-67(42-56-27-33-59(126)34-28-56)89(142)120-76(50(8)9)92(145)117-70(45-75(131)132)90(143)122-79(95(148)149)53(12)15-3)119-73(128)46-107-81(134)68(43-72(100)127)116-94(147)78(52(11)14-2)121-88(141)64(39-49(6)7)111-85(138)65(40-54-23-29-57(124)30-24-54)113-87(140)69(44-74(129)130)114-84(137)63(38-48(4)5)110-83(136)62(22-19-37-106-97(103)104)109-91(144)71(47-123)118-86(139)66(41-55-25-31-58(125)32-26-55)112-82(135)61(21-18-36-105-96(101)102)108-80(133)60(99)20-16-17-35-98/h23-34,48-53,60-71,76-79,123-126H,13-22,35-47,98-99H2,1-12H3,(H2,100,127)(H,107,134)(H,108,133)(H,109,144)(H,110,136)(H,111,138)(H,112,135)(H,113,140)(H,114,137)(H,115,146)(H,116,147)(H,117,145)(H,118,139)(H,119,128)(H,120,142)(H,121,141)(H,122,143)(H,129,130)(H,131,132)(H,148,149)(H4,101,102,105)(H4,103,104,106)/t51-,52-,53-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,76-,77-,78-,79-/m0/s1

Cas#: 342878-90-4        Compound CID:  146158654

IUPAC Name: 2-[[10-(4-aminobutyl)-19-(2-aminopropanoylamino)-16-benzyl-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoic acid

SMILES: CC(C)C(C(=O)O)NC(=O)C1CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)NC(=O)C(C)N

InChIKey: WDZHTXUSYGCGPY-UHFFFAOYSA-N

InChI: InChI=1S/C49H64N10O10S2/c1-27(2)41(49(68)69)59-48(67)40-26-71-70-25-39(57-42(61)28(3)51)47(66)55-36(21-29-11-5-4-6-12-29)44(63)56-38(23-31-24-52-34-14-8-7-13-33(31)34)46(65)53-35(15-9-10-20-50)43(62)54-37(45(64)58-40)22-30-16-18-32(60)19-17-30/h4-8,11-14,16-19,24,27-28,35-41,52,60H,9-10,15,20-23,25-26,50-51H2,1-3H3,(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,61)(H,58,64)(H,59,67)(H,68,69)

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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](O)C)CO)CCSC)CC(C)C)CC(=O)N)[C@H](O)C)Cc1c[nH]cn1)CCC(=O)O)CCCCN)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C)CCCCN)CCC(=O)N)CCSC)CCCCN)CCSC)CCSC)CCC(=O)O)CCCN=C(N)N

InChIKey: RVUJAIDUVQKVDU-OTFOMDLSSA-N

InChI: InChI=1S/C130H229N37O39S4/c1-19-68(9)100(163-96(174)62-142-124(200)102(71(12)169)165-121(197)89(57-66(5)6)157-105(181)70(11)135)125(201)155-77(32-23-27-49-133)108(184)148-80(35-39-94(136)172)110(186)152-84(43-52-207-15)114(190)146-78(33-24-28-50-134)118(194)164-101(69(10)20-2)126(202)156-87(46-55-210-18)116(192)153-85(44-53-208-16)115(191)151-82(37-41-98(177)178)112(188)147-79(34-29-51-141-130(138)139)109(185)144-75(30-21-25-47-131)106(182)149-81(36-40-97(175)176)111(187)145-76(31-22-26-48-132)107(183)150-83(38-42-99(179)180)113(189)159-90(59-74-61-140-64-143-74)122(198)166-103(72(13)170)127(203)160-91(60-95(137)173)120(196)158-88(56-65(3)4)119(195)154-86(45-54-209-17)117(193)162-93(63-168)123(199)167-104(73(14)171)128(204)161-92(129(205)206)58-67(7)8/h61,64-73,75-93,100-104,168-171H,19-60,62-63,131-135H2,1-18H3,(H2,136,172)(H2,137,173)(H,140,143)(H,142,200)(H,144,185)(H,145,187)(H,146,190)(H,147,188)(H,148,184)(H,149,182)(H,150,183)(H,151,191)(H,152,186)(H,153,192)(H,154,195)(H,155,201)(H,156,202)(H,157,181)(H,158,196)(H,159,189)(H,160,203)(H,161,204)(H,162,193)(H,163,174)(H,164,194)(H,165,197)(H,166,198)(H,167,199)(H,175,176)(H,177,178)(H,179,180)(H,205,206)(H4,138,139,141)/t68-,69-,70-,71+,72+,73+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,100-,101-,102-,103-,104-/m0/s1

SMILES: CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[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)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)CC(=O)O)Cc1ccccc1)CC(C)C)CCC2)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CC(=O)N)[C@H](O)C)CO)[C@H](CC)C)CCCN=C(N)N)Cc1ccccc1)CO)CCCN=C(N)N)C)CCC(=O)O)CCCN=C(N)N)Cc1nc[nH]c1)CO)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CC(C)C)CC(C)C)CCCN=C(N)N)Cc1ccc(cc1)O)CCC(=O)N)Cc1nc[nH]c1)C

InChIKey: NZRXPCZWIFPFBB-SZWZVGMQSA-N

InChI: InChI=1S/C215H330N68O58S2/c1-19-110(13)167(275-190(321)141(87-121-93-232-104-245-121)265-201(332)165(108(9)10)272-182(313)132(63-65-156(217)290)255-186(317)138(84-118-59-61-122(289)62-60-118)264-199(330)153-56-38-76-281(153)207(338)155-58-40-78-283(155)208(339)170(115(18)288)277-181(312)131(52-34-72-238-215(229)230)257-198(329)152-55-37-75-280(152)206(337)154-57-39-77-282(154)205(336)143(81-107(7)8)267-184(315)135(80-106(5)6)258-173(304)124(216)88-163(298)299)203(334)270-146(99-285)192(323)263-140(86-120-92-231-103-244-120)188(319)252-128(49-31-69-235-212(223)224)178(309)254-133(64-66-162(296)297)177(308)246-112(15)171(302)251-127(48-30-68-234-211(221)222)175(306)242-96-160(294)279-74-36-54-151(279)197(328)269-145(98-284)191(322)261-136(82-116-41-23-21-24-42-116)185(316)253-130(51-33-71-237-214(227)228)180(311)274-168(111(14)20-2)204(335)271-149-102-343-342-101-148(194(325)268-147(100-286)193(324)276-169(114(17)287)200(331)241-95-158(292)248-144(209(340)341)89-157(218)291)249-159(293)94-240-174(305)126(47-29-67-233-210(219)220)250-172(303)113(16)247-183(314)139(85-119-91-239-125-46-28-27-45-123(119)125)262-179(310)129(50-32-70-236-213(225)226)256-196(327)150-53-35-73-278(150)161(295)97-243-176(307)134(79-105(3)4)259-187(318)137(83-117-43-25-22-26-44-117)260-189(320)142(90-164(300)301)266-202(333)166(109(11)12)273-195(149)326/h21-28,41-46,59-62,91-93,103-115,124,126-155,165-170,239,284-289H,19-20,29-40,47-58,63-90,94-102,216H2,1-18H3,(H2,217,290)(H2,218,291)(H,231,244)(H,232,245)(H,240,305)(H,241,331)(H,242,306)(H,243,307)(H,246,308)(H,247,314)(H,248,292)(H,249,293)(H,250,303)(H,251,302)(H,252,319)(H,253,316)(H,254,309)(H,255,317)(H,256,327)(H,257,329)(H,258,304)(H,259,318)(H,260,320)(H,261,322)(H,262,310)(H,263,323)(H,264,330)(H,265,332)(H,266,333)(H,267,315)(H,268,325)(H,269,328)(H,270,334)(H,271,335)(H,272,313)(H,273,326)(H,274,311)(H,275,321)(H,276,324)(H,277,312)(H,296,297)(H,298,299)(H,300,301)(H,340,341)(H4,219,220,233)(H4,221,222,234)(H4,223,224,235)(H4,225,226,236)(H4,227,228,237)(H4,229,230,238)/t110-,111-,112-,113-,114+,115+,124-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,165-,166-,167-,168-,169-,170-/m0/s1