Gbva4

Structural Information

Molecular Formula

C₁₀₉H₁₈₃N₃₃O₂₄S

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)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](CC2=CC=C(C=C2)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](CC3=CNC4=CC=CC=C43)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/C109H183N33O24S/c1-55(2)43-67(111)88(148)131-75(45-57(5)6)97(157)138-81(51-85(146)147)100(160)139-82(54-167)102(162)137-80(50-64-52-124-68-26-17-16-25-66(64)68)101(161)140-86(61(13)14)103(163)130-73(31-23-41-123-109(118)119)93(153)132-74(44-56(3)4)89(149)125-53-84(145)126-69(28-20-38-120-106(112)113)90(150)136-79(49-63-33-35-65(144)36-34-63)99(159)135-78(48-60(11)12)98(158)134-77(47-59(9)10)96(156)129-71(29-21-39-121-107(114)115)91(151)127-72(30-22-40-122-108(116)117)92(152)133-76(46-58(7)8)95(155)128-70(27-18-19-37-110)94(154)141-87(62(15)143)104(164)142-42-24-32-83(142)105(165)166/h16-17,25-26,33-36,52,55-62,67,69-83,86-87,124,143-144,167H,18-24,27-32,37-51,53-54,110-111H2,1-15H3,(H,125,149)(H,126,145)(H,127,151)(H,128,155)(H,129,156)(H,130,163)(H,131,148)(H,132,153)(H,133,152)(H,134,158)(H,135,159)(H,136,150)(H,137,162)(H,138,157)(H,139,160)(H,140,161)(H,141,154)(H,146,147)(H,165,166)(H4,112,113,120)(H4,114,115,121)(H4,116,117,122)(H4,118,119,123)/t62-,67+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,86+,87+/m1/s1

InChIKey

KLZSGHCPDSKAPV-QCBYMZFVSA-N

Compound name

(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-carboxylic acid

Related CIDs

• CID 71597357