3-azanyl-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)-(1-phenylethyl)amino]butanoic acid

Systemtic Name: 3-azanyl-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)-(1-phenylethyl)amino]butanoic acid Openeye Name: 3-amino-4-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]-(1-phenylethyl)amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)-(1-phenylethyl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)-(1-phenylethyl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]-(1-phenylethyl)amino]-4-keto-butyric acid Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C(CS)C(=O)O)C(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C1=CC=CC=C1)N(C(CS)C(=O)O)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C15H20N2O5S/c1-9(10-5-3-2-4-6-10)17(12(8-23)15(21)22)14(20)11(16)7-13(18)19/h2-6,9,11-12,23H,7-8,16H2,1H3,(H,18,19)(H,21,22)