Wvrlgryllrrlktpftr

Structural Information

Molecular Formula

C₁₀₉H₁₇₉N₃₅O₂₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCNC(=N)N)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)N)O

InChI

InChI=1S/C109H179N35O22/c1-57(2)48-77(135-93(154)75(34-23-45-125-108(118)119)133-101(162)85(61(9)10)141-88(149)69(111)54-66-55-127-70-29-17-16-28-68(66)70)89(150)128-56-84(148)129-71(31-20-42-122-105(112)113)90(151)139-81(53-65-37-39-67(147)40-38-65)98(159)138-80(51-60(7)8)97(158)137-79(50-59(5)6)96(157)132-73(32-21-43-123-106(114)115)91(152)130-74(33-22-44-124-107(116)117)92(153)136-78(49-58(3)4)95(156)131-72(30-18-19-41-110)94(155)143-87(63(12)146)103(164)144-47-25-36-83(144)100(161)140-82(52-64-26-14-13-15-27-64)99(160)142-86(62(11)145)102(163)134-76(104(165)166)35-24-46-126-109(120)121/h13-17,26-29,37-40,55,57-63,69,71-83,85-87,127,145-147H,18-25,30-36,41-54,56,110-111H2,1-12H3,(H,128,150)(H,129,148)(H,130,152)(H,131,156)(H,132,157)(H,133,162)(H,134,163)(H,135,154)(H,136,153)(H,137,158)(H,138,159)(H,139,151)(H,140,161)(H,141,149)(H,142,160)(H,143,155)(H,165,166)(H4,112,113,122)(H4,114,115,123)(H4,116,117,124)(H4,118,119,125)(H4,120,121,126)/t62-,63-,69+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,85+,86+,87+/m1/s1

InChIKey

UBIRQVFMWKEYIB-FHWSSEDRSA-N

Compound name

(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-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-carbamimidamidopentanoic acid

Related CIDs

• CID 71597127