2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-2-oxo-1-[(3-oxo-1-phenyl-butyl)sulfanylmethyl]ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[(3-oxo-1-phenylbutyl)thio]propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-(3-oxo-1-phenylbutyl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-2-keto-1-[[(3-keto-1-phenyl-butyl)thio]methyl]ethyl]amino]-5-keto-valeric acid Formula: C20H27N3O7S MolecularWeight: 453.50928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=CC=C1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CC(=O)CC(C1=CC=CC=C1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C20H27N3O7S/c1-12(24)9-16(13-5-3-2-4-6-13)31-11-15(19(28)22-10-18(26)27)23-17(25)8-7-14(21)20(29)30/h2-6,14-16H,7-11,21H2,1H3,(H,22,28)(H,23,25)(H,26,27)(H,29,30)