2-[2-[[2-[[2-[[2-[2-[(2-azanyl-3-methyl-pentanoyl)amino]propanoylamino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[[2-[[2-[[2-[2-[(2-azanyl-3-methyl-pentanoyl)amino]propanoylamino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoylamino]pentanedioic acid Openeye Name: 2-[2-[[2-[[2-[[2-[2-[(2-amino-3-methyl-pentanoyl)amino]propanoylamino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]propanoylamino]pentanedioic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-methyl-1-oxopentyl)amino]-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[2-[[2-[[2-[[2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]pentanedioic acid Traditional Name: 2-[2-[[2-[[2-[[2-[2-[(2-amino-3-methyl-pentanoyl)amino]propanoylamino]-4-(methylthio)butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]propanoylamino]glutaric acid Formula: C31H55N7O11S MolecularWeight: 733.8737

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C31H55N7O11S/c1-9-15(4)22(32)28(45)33-16(5)25(42)35-19(12-13-50-8)27(44)37-23(14(2)3)29(46)38-24(18(7)39)30(47)34-17(6)26(43)36-20(31(48)49)10-11-21(40)41/h14-20,22-24,39H,9-13,32H2,1-8H3,(H,33,45)(H,34,47)(H,35,42)(H,36,43)(H,37,44)(H,38,46)(H,40,41)(H,48,49)