Cwvrlgryslrrlktpft

Structural Information

Molecular Formula

C₁₀₃H₁₆₆N₃₂O₂₃S

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=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](CO)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)N)O

InChI

InChI=1S/C103H166N32O23S/c1-53(2)43-71(126-88(146)70(31-21-41-117-103(112)113)124-97(155)80(56(7)8)132-94(152)76(125-83(141)64(105)52-159)48-61-49-118-65-26-15-14-25-63(61)65)84(142)119-50-79(140)120-66(28-18-38-114-100(106)107)85(143)129-74(47-60-33-35-62(139)36-34-60)92(150)131-77(51-136)95(153)128-73(45-55(5)6)91(149)123-68(29-19-39-115-101(108)109)86(144)121-69(30-20-40-116-102(110)111)87(145)127-72(44-54(3)4)90(148)122-67(27-16-17-37-104)89(147)133-81(57(9)137)98(156)135-42-22-32-78(135)96(154)130-75(46-59-23-12-11-13-24-59)93(151)134-82(58(10)138)99(157)158/h11-15,23-26,33-36,49,53-58,64,66-78,80-82,118,136-139,159H,16-22,27-32,37-48,50-52,104-105H2,1-10H3,(H,119,142)(H,120,140)(H,121,144)(H,122,148)(H,123,149)(H,124,155)(H,125,141)(H,126,146)(H,127,145)(H,128,153)(H,129,143)(H,130,154)(H,131,150)(H,132,152)(H,133,147)(H,134,151)(H,157,158)(H4,106,107,114)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t57-,58-,64+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,80+,81+,82+/m1/s1

InChIKey

FKXDVPRJTLRZHY-CRPNCYGQSA-N

Compound name

(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-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]-3-hydroxypropanoyl]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-hydroxybutanoic acid

Related CIDs

• CID 71597136