Gbva7

Structural Information

Molecular Formula

C₁₁₈H₁₉₅N₃₇O₂₄S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C118H195N37O24S/c1-61(2)50-82(145-100(165)80(36-25-47-134-117(127)128)142-110(175)92(66(11)12)152-108(173)88(144-95(160)74(120)60-180)57-71-58-136-75-31-19-18-30-73(71)75)96(161)137-59-91(159)138-76(33-22-44-131-114(121)122)97(162)149-86(56-70-39-41-72(158)42-40-70)106(171)148-85(53-64(7)8)105(170)147-84(52-63(5)6)104(169)141-78(34-23-45-132-115(123)124)98(163)139-79(35-24-46-133-116(125)126)99(164)146-83(51-62(3)4)103(168)140-77(32-20-21-43-119)102(167)154-94(68(14)157)112(177)155-49-27-38-90(155)109(174)150-87(55-69-28-16-15-17-29-69)107(172)153-93(67(13)156)111(176)143-81(37-26-48-135-118(129)130)101(166)151-89(113(178)179)54-65(9)10/h15-19,28-31,39-42,58,61-68,74,76-90,92-94,136,156-158,180H,20-27,32-38,43-57,59-60,119-120H2,1-14H3,(H,137,161)(H,138,159)(H,139,163)(H,140,168)(H,141,169)(H,142,175)(H,143,176)(H,144,160)(H,145,165)(H,146,164)(H,147,170)(H,148,171)(H,149,162)(H,150,174)(H,151,166)(H,152,173)(H,153,172)(H,154,167)(H,178,179)(H4,121,122,131)(H4,123,124,132)(H4,125,126,133)(H4,127,128,134)(H4,129,130,135)/t67-,68-,74+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,92+,93+,94+/m1/s1

InChIKey

GPMKDVIAJOOJTC-YJPYJUBMSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71596969