2-[[1-[2-[[2-[2-[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-oxidanyl-propanoyl]amino]propanoylamino]ethanoylamino]-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]ethanoylamino]-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]acetyl]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]-1-oxoethyl]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]acetyl]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]acetyl]amino]-4-(methylthio)butanoyl]amino]propanoyl]prolyl]amino]glutaric acid Formula: C31H52N8O12S MolecularWeight: 760.85598

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H52N8O12S/c1-15(2)24(32)29(48)38-20(14-40)27(46)34-16(3)25(44)33-13-22(41)36-18(10-12-52-5)26(45)35-17(4)30(49)39-11-6-7-21(39)28(47)37-19(31(50)51)8-9-23(42)43/h15-21,24,40H,6-14,32H2,1-5H3,(H,33,44)(H,34,46)(H,35,45)(H,36,41)(H,37,47)(H,38,48)(H,42,43)(H,50,51)