Svn(1-40)cys7ser

Structural Information

Molecular Formula

C₁₆₃H₂₄₂N₅₆O₆₂S₄

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N4CCC[C@H]4C(=O)NCC(=O)NCC(=O)N5CCC[C@H]5C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]6CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC6=O)CO)CC(=O)N)CC(=O)N)CCCCN)CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]7CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC7=O)CO)CO)CO)CC8=CC=CC=C8)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)O)NC(=O)[C@@H]9CCCN9C(=O)CNC(=O)[C@H](CO)NC(=O)CN)O

InChI

InChI=1S/C163H242N56O62S4/c1-71(129(249)191-83(23-13-39-179-163(176)177)139(259)215-127(73(3)226)160(280)214-106-70-285-282-67-103(152(272)194-84(31-34-110(166)229)131(251)186-60-126(247)248)213-140(260)87(43-75-17-6-5-7-18-75)189-121(240)57-183-134(254)98(62-221)206-150(270)101(65-224)208-151(271)102(66-225)210-155(106)275)187-120(239)56-182-132(252)95(52-125(245)246)202-153(273)104-68-283-284-69-105(154(274)209-100(64-223)149(269)201-93(49-115(171)234)146(266)200-91(47-113(169)232)143(263)192-81(21-10-11-37-164)136(256)195-85(138(258)212-104)32-35-111(167)230)211-137(257)82(22-12-38-178-162(174)175)193-145(265)94(50-116(172)235)203-157(277)108-25-14-40-217(108)122(241)58-181-119(238)55-184-156(276)107-24-16-42-219(107)161(281)96(51-117(173)236)205-147(267)90(46-112(168)231)197-130(250)72(2)188-135(255)86(33-36-124(243)244)196-144(264)92(48-114(170)233)199-142(262)89(45-77-54-180-80-20-9-8-19-79(77)80)198-148(268)99(63-222)207-141(261)88(44-76-27-29-78(228)30-28-76)204-159(279)128(74(4)227)216-158(278)109-26-15-41-218(109)123(242)59-185-133(253)97(61-220)190-118(237)53-165/h5-9,17-20,27-30,54,71-74,81-109,127-128,180,220-228H,10-16,21-26,31-53,55-70,164-165H2,1-4H3,(H2,166,229)(H2,167,230)(H2,168,231)(H2,169,232)(H2,170,233)(H2,171,234)(H2,172,235)(H2,173,236)(H,181,238)(H,182,252)(H,183,254)(H,184,276)(H,185,253)(H,186,251)(H,187,239)(H,188,255)(H,189,240)(H,190,237)(H,191,249)(H,192,263)(H,193,265)(H,194,272)(H,195,256)(H,196,264)(H,197,250)(H,198,268)(H,199,262)(H,200,266)(H,201,269)(H,202,273)(H,203,277)(H,204,279)(H,205,267)(H,206,270)(H,207,261)(H,208,271)(H,209,274)(H,210,275)(H,211,257)(H,212,258)(H,213,260)(H,214,280)(H,215,259)(H,216,278)(H,243,244)(H,245,246)(H,247,248)(H4,174,175,178)(H4,176,177,179)/t71-,72-,73+,74+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,127-,128-/m0/s1

InChIKey

CMDKBPNVEZOFRP-XUAVUAEJSA-N

Compound name

(4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[(2S)-2-[[2-[[2-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-1-[[(4R,7S,10S,13S,16S,19S,22R)-10-(4-aminobutyl)-4-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(4R,7S,13S,16S,19S,22R)-4-[[(2S)-5-amino-1-(carboxymethylamino)-1,5-dioxopentan-2-yl]carbamoyl]-7-benzyl-13,16,19-tris(hydroxymethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]-13,16-bis(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-19-(hydroxymethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186173