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: 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)C(C)C)Cc1c[nH]c2c1cccc2)Cc1ccccc1)CCC(=O)O)CCC(=O)N)CCCNC(=N)N)CC(C)C)C(C)C)CCCNC(=N)N)CCCCN)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=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](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](Cc1ccc(cc1)O)N)CCCNC(=N)N)CCCCN)CCCCN)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CO)CCCNC(=N)N)CCC(=O)O)CCC(=O)O)CCSC)CC(C)C)CCCNC(=N)N

InChIKey: UDMRTOJWVGSXRR-OMVNHVILSA-N

InChI: InChI=1S/C190H323N71O45S/c1-100(2)89-132(170(295)244-116(43-19-23-74-193)155(280)243-125(54-34-85-227-190(216)217)169(294)258-148(103(7)8)177(302)256-133(90-101(3)4)171(296)245-122(51-31-82-224-187(210)211)160(285)248-128(62-67-141(197)265)166(291)249-129(64-69-146(271)272)167(292)254-134(93-105-37-13-12-14-38-105)172(297)255-135(173(298)259-149(104(9)10)180(305)306)94-107-95-228-111-40-16-15-39-109(107)111)253-163(288)117(44-20-24-75-194)238-161(286)124(53-33-84-226-189(214)215)251-176(301)139-56-36-87-261(139)179(304)136(91-102(5)6)257-168(293)130(71-88-307-11)250-164(289)126(63-68-145(269)270)233-143(267)98-231-175(300)138-55-35-86-260(138)178(303)131(65-70-147(273)274)252-162(287)123(52-32-83-225-188(212)213)246-174(299)137(99-262)234-144(268)97-230-151(276)112(45-25-76-218-181(198)199)235-156(281)118(47-27-78-220-183(202)203)240-158(283)120(49-29-80-222-185(206)207)242-165(290)127(61-66-140(196)264)247-159(284)121(50-30-81-223-186(208)209)241-157(282)119(48-28-79-221-184(204)205)239-154(279)115(42-18-22-73-192)237-153(278)114(41-17-21-72-191)236-152(277)113(46-26-77-219-182(200)201)232-142(266)96-229-150(275)110(195)92-106-57-59-108(263)60-58-106/h12-16,37-40,57-60,95,100-104,110,112-139,148-149,228,262-263H,17-36,41-56,61-94,96-99,191-195H2,1-11H3,(H2,196,264)(H2,197,265)(H,229,275)(H,230,276)(H,231,300)(H,232,266)(H,233,267)(H,234,268)(H,235,281)(H,236,277)(H,237,278)(H,238,286)(H,239,279)(H,240,283)(H,241,282)(H,242,290)(H,243,280)(H,244,295)(H,245,296)(H,246,299)(H,247,284)(H,248,285)(H,249,291)(H,250,289)(H,251,301)(H,252,287)(H,253,288)(H,254,292)(H,255,297)(H,256,302)(H,257,293)(H,258,294)(H,259,298)(H,269,270)(H,271,272)(H,273,274)(H,305,306)(H4,198,199,218)(H4,200,201,219)(H4,202,203,220)(H4,204,205,221)(H4,206,207,222)(H4,208,209,223)(H4,210,211,224)(H4,212,213,225)(H4,214,215,226)(H4,216,217,227)/t110-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,148-,149-/m0/s1