Cwvrlgryvlrrlktpft

Structural Information

Molecular Formula

C₁₀₅H₁₇₀N₃₂O₂₂S

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](C(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)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C105H170N32O22S/c1-54(2)45-73(128-90(147)72(33-23-43-119-105(114)115)126-98(155)81(57(7)8)134-96(153)78(127-85(142)66(107)53-160)50-63-51-120-67-28-17-16-27-65(63)67)86(143)121-52-80(141)122-68(30-20-40-116-102(108)109)87(144)130-76(49-62-35-37-64(140)38-36-62)94(151)133-82(58(9)10)99(156)132-75(47-56(5)6)93(150)125-70(31-21-41-117-103(110)111)88(145)123-71(32-22-42-118-104(112)113)89(146)129-74(46-55(3)4)92(149)124-69(29-18-19-39-106)91(148)135-83(59(11)138)100(157)137-44-24-34-79(137)97(154)131-77(48-61-25-14-13-15-26-61)95(152)136-84(60(12)139)101(158)159/h13-17,25-28,35-38,51,54-60,66,68-79,81-84,120,138-140,160H,18-24,29-34,39-50,52-53,106-107H2,1-12H3,(H,121,143)(H,122,141)(H,123,145)(H,124,149)(H,125,150)(H,126,155)(H,127,142)(H,128,147)(H,129,146)(H,130,144)(H,131,154)(H,132,156)(H,133,151)(H,134,153)(H,135,148)(H,136,152)(H,158,159)(H4,108,109,116)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119)/t59-,60-,66+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,81+,82+,83+,84+/m1/s1

InChIKey

ARRRUPKVVCGIEN-DSDLRSEWSA-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-methylbutanoyl]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 71597288