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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CS)N(CC1=CC=CC=C1)C(=O)C(CC(=O)O)N

Isomeric SMILES

COC(=O)C(CS)N(CC1=CC=CC=C1)C(=O)C(CC(=O)O)N

InChI

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