Gikqlqarilqverykdqq

Structural Information

Molecular Formula

C₉₉H₁₆₉N₃₁O₂₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)CN

InChI

InChI=1S/C99H169N31O29/c1-13-51(9)78(128-74(136)47-102)95(156)121-58(22-16-18-40-101)83(144)118-63(31-36-72(105)134)88(149)124-67(44-49(5)6)91(152)119-61(29-34-70(103)132)82(143)113-53(11)80(141)115-60(24-20-42-112-99(109)110)89(150)130-79(52(10)14-2)96(157)127-66(43-48(3)4)90(151)114-54(12)81(142)129-77(50(7)8)94(155)122-64(33-38-75(137)138)86(147)116-59(23-19-41-111-98(107)108)85(146)125-68(45-55-25-27-56(131)28-26-55)92(153)117-57(21-15-17-39-100)84(145)126-69(46-76(139)140)93(154)120-62(30-35-71(104)133)87(148)123-65(97(158)159)32-37-73(106)135/h25-28,48-54,57-69,77-79,131H,13-24,29-47,100-102H2,1-12H3,(H2,103,132)(H2,104,133)(H2,105,134)(H2,106,135)(H,113,143)(H,114,151)(H,115,141)(H,116,147)(H,117,153)(H,118,144)(H,119,152)(H,120,154)(H,121,156)(H,122,155)(H,123,148)(H,124,149)(H,125,146)(H,126,145)(H,127,157)(H,128,136)(H,129,142)(H,130,150)(H,137,138)(H,139,140)(H,158,159)(H4,107,108,111)(H4,109,110,112)/t51-,52-,53-,54-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,77-,78-,79-/m0/s1

InChIKey

QHKKTOFTUPNTTK-FIIJFCTLSA-N

Compound name

(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133917