Gbva6

Structural Information

Molecular Formula

C₁₂₈H₂₁₁N₃₉O₂₈S

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)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)N)O

InChI

InChI=1S/C128H211N39O28S/c1-65(2)52-79(130)103(174)154-94(61-99(172)173)115(186)163-96(64-196)118(189)160-93(60-76-62-146-80-33-21-20-32-78(76)80)117(188)164-100(71(13)14)120(191)152-85(38-27-49-144-127(137)138)108(179)155-87(53-66(3)4)104(175)147-63-98(171)148-81(35-24-46-141-124(131)132)105(176)159-91(59-75-41-43-77(170)44-42-75)114(185)158-90(56-69(9)10)113(184)157-89(55-68(7)8)112(183)151-83(36-25-47-142-125(133)134)106(177)149-84(37-26-48-143-126(135)136)107(178)156-88(54-67(5)6)111(182)150-82(34-22-23-45-129)110(181)166-102(73(16)169)122(193)167-51-29-40-97(167)119(190)161-92(58-74-30-18-17-19-31-74)116(187)165-101(72(15)168)121(192)153-86(39-28-50-145-128(139)140)109(180)162-95(123(194)195)57-70(11)12/h17-21,30-33,41-44,62,65-73,79,81-97,100-102,146,168-170,196H,22-29,34-40,45-61,63-64,129-130H2,1-16H3,(H,147,175)(H,148,171)(H,149,177)(H,150,182)(H,151,183)(H,152,191)(H,153,192)(H,154,174)(H,155,179)(H,156,178)(H,157,184)(H,158,185)(H,159,176)(H,160,189)(H,161,190)(H,162,180)(H,163,186)(H,164,188)(H,165,187)(H,166,181)(H,172,173)(H,194,195)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)/t72-,73-,79+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,100+,101+,102+/m1/s1

InChIKey

AHBSTMJWZPJDME-VHDOVSHYSA-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-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-carboxypropanoyl]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 71596569