Cwvrlgrkllrrlkkpft

Structural Information

Molecular Formula

C₁₀₅H₁₈₀N₃₄O₂₀S

SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)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](CCCCN)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)N)O

InChI

InChI=1S/C105H180N34O20S/c1-57(2)48-75(132-92(149)73(38-26-46-121-105(116)117)129-99(156)83(61(9)10)137-97(154)80(131-85(142)66(109)56-160)53-64-54-122-67-31-16-15-30-65(64)67)86(143)123-55-82(141)124-68(35-23-43-118-102(110)111)87(144)125-70(33-18-21-41-107)90(147)134-78(51-60(7)8)95(152)135-77(50-59(5)6)94(151)128-71(36-24-44-119-103(112)113)88(145)126-72(37-25-45-120-104(114)115)91(148)133-76(49-58(3)4)93(150)127-69(32-17-20-40-106)89(146)130-74(34-19-22-42-108)100(157)139-47-27-39-81(139)98(155)136-79(52-63-28-13-12-14-29-63)96(153)138-84(62(11)140)101(158)159/h12-16,28-31,54,57-62,66,68-81,83-84,122,140,160H,17-27,32-53,55-56,106-109H2,1-11H3,(H,123,143)(H,124,141)(H,125,144)(H,126,145)(H,127,150)(H,128,151)(H,129,156)(H,130,146)(H,131,142)(H,132,149)(H,133,148)(H,134,147)(H,135,152)(H,136,155)(H,137,154)(H,138,153)(H,158,159)(H4,110,111,118)(H4,112,113,119)(H4,114,115,120)(H4,116,117,121)/t62-,66+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,83+,84+/m1/s1

InChIKey

UIFMRLBTVNURHW-WXQTYOPQSA-N

Compound name

(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-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]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoic acid

Related CIDs

• CID 71597024