Gbva2

Structural Information

Molecular Formula

C₁₃₄H₂₂₂N₄₀O₂₉S

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

InChI

InChI=1S/C134H222N40O29S/c1-68(2)54-83(136)108(181)160-92(56-70(5)6)118(191)167-99(64-104(179)180)121(194)170-101(67-204)124(197)166-98(63-80-65-152-84-35-23-22-34-82(80)84)123(196)171-105(75(15)16)126(199)158-89(40-29-51-150-133(143)144)113(186)161-91(55-69(3)4)109(182)153-66-103(178)154-85(37-26-48-147-130(137)138)110(183)165-96(62-79-43-45-81(177)46-44-79)120(193)164-95(59-73(11)12)119(192)163-94(58-72(9)10)117(190)157-87(38-27-49-148-131(139)140)111(184)155-88(39-28-50-149-132(141)142)112(185)162-93(57-71(7)8)116(189)156-86(36-24-25-47-135)115(188)173-107(77(18)176)128(201)174-53-31-42-102(174)125(198)168-97(61-78-32-20-19-21-33-78)122(195)172-106(76(17)175)127(200)159-90(41-30-52-151-134(145)146)114(187)169-100(129(202)203)60-74(13)14/h19-23,32-35,43-46,65,68-77,83,85-102,105-107,152,175-177,204H,24-31,36-42,47-64,66-67,135-136H2,1-18H3,(H,153,182)(H,154,178)(H,155,184)(H,156,189)(H,157,190)(H,158,199)(H,159,200)(H,160,181)(H,161,186)(H,162,185)(H,163,192)(H,164,193)(H,165,183)(H,166,197)(H,167,191)(H,168,198)(H,169,187)(H,170,194)(H,171,196)(H,172,195)(H,173,188)(H,179,180)(H,202,203)(H4,137,138,147)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t76-,77-,83+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,105+,106+,107+/m1/s1

InChIKey

CYSUVBTZWZYBPX-NOLJXDMTSA-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-[[(2S)-2-amino-4-methylpentanoyl]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 71597030