Csfv

Structural Information

Molecular Formula

C₁₀₁H₁₆₇N₂₇O₂₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C101H167N27O29/c1-13-55(11)79(105)96(153)124-68(44-53(7)8)87(144)114-64(34-36-76(133)134)86(143)118-66(42-51(3)4)88(145)119-67(43-52(5)6)89(146)121-70(46-58-30-32-59(131)33-31-58)91(148)112-60(26-18-20-38-102)83(140)120-69(45-57-24-16-15-17-25-57)90(147)113-62(28-22-40-110-100(106)107)84(141)123-72(48-78(137)138)92(149)122-71(47-75(104)132)93(150)128-81(56(12)14-2)98(155)116-61(27-19-21-39-103)85(142)125-73(49-129)94(151)126-74(50-130)95(152)127-80(54(9)10)97(154)115-63(29-23-41-111-101(108)109)82(139)117-65(99(156)157)35-37-77(135)136/h15-17,24-25,30-33,51-56,60-74,79-81,129-131H,13-14,18-23,26-29,34-50,102-103,105H2,1-12H3,(H2,104,132)(H,112,148)(H,113,147)(H,114,144)(H,115,154)(H,116,155)(H,117,139)(H,118,143)(H,119,145)(H,120,140)(H,121,146)(H,122,149)(H,123,141)(H,124,153)(H,125,142)(H,126,151)(H,127,152)(H,128,150)(H,133,134)(H,135,136)(H,137,138)(H,156,157)(H4,106,107,110)(H4,108,109,111)/t55-,56-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,79-,80-,81-/m0/s1

InChIKey

LXWYCLOUQZZDBD-LIYNQYRNSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]pentanedioic acid

Related CIDs

• CID 71597264