Ldcwvrlgryllrrlktp

Structural Information

Molecular Formula

C₁₀₃H₁₇₂N₃₂O₂₃S

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)N)O

InChI

InChI=1S/C103H172N32O23S/c1-52(2)41-63(105)83(141)125-76(48-80(139)140)94(152)132-77(51-159)96(154)131-75(47-60-49-118-64-24-15-14-23-62(60)64)95(153)133-81(57(11)12)97(155)124-69(29-21-39-117-103(112)113)88(146)126-70(42-53(3)4)84(142)119-50-79(138)120-65(26-18-36-114-100(106)107)85(143)130-74(46-59-31-33-61(137)34-32-59)93(151)129-73(45-56(9)10)92(150)128-72(44-55(7)8)91(149)123-67(27-19-37-115-101(108)109)86(144)121-68(28-20-38-116-102(110)111)87(145)127-71(43-54(5)6)90(148)122-66(25-16-17-35-104)89(147)134-82(58(13)136)98(156)135-40-22-30-78(135)99(157)158/h14-15,23-24,31-34,49,52-58,63,65-78,81-82,118,136-137,159H,16-22,25-30,35-48,50-51,104-105H2,1-13H3,(H,119,142)(H,120,138)(H,121,144)(H,122,148)(H,123,149)(H,124,155)(H,125,141)(H,126,146)(H,127,145)(H,128,150)(H,129,151)(H,130,143)(H,131,154)(H,132,152)(H,133,153)(H,134,147)(H,139,140)(H,157,158)(H4,106,107,114)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t58-,63+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,81+,82+/m1/s1

InChIKey

WQCRWTGGFCLCEV-ZCKPNINQSA-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-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 71596970