2-[[1-[2-[[2-[[2-[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-oxidanyl-propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[1-[2-[[2-[[2-[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-oxidanyl-propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[1-[2-[[2-[[2-[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-hydroxy-propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[1-[2-[[2-[[2-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[1-[2-[[2-[[2-[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[1-[2-[[2-[[2-[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-hydroxy-propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-4-(methylthio)butanoyl]amino]propanoyl]prolyl]amino]glutaric acid Formula: C34H58N8O12S MolecularWeight: 802.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CO)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCSC)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(CO)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCSC)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C34H58N8O12S/c1-16(2)25(35)31(50)40-22(15-43)29(48)36-18(5)27(46)41-26(17(3)4)32(51)38-20(12-14-55-7)28(47)37-19(6)33(52)42-13-8-9-23(42)30(49)39-21(34(53)54)10-11-24(44)45/h16-23,25-26,43H,8-15,35H2,1-7H3,(H,36,48)(H,37,47)(H,38,51)(H,39,49)(H,40,50)(H,41,46)(H,44,45)(H,53,54)