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

Systemtic Name: 3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-methoxy-2-oxo-1-(phenylsulfanylmethyl)ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-methoxy-1-oxo-3-(phenylthio)propan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(1-methoxy-1-oxo-3-phenylsulfanylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-[[2-keto-2-methoxy-1-[(phenylthio)methyl]ethyl]amino]butyric acid Formula: C14H18N2O5S MolecularWeight: 326.36812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC1=CC=CC=C1)NC(=O)C(CC(=O)O)N

Isomeric SMILES

COC(=O)C(CSC1=CC=CC=C1)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C14H18N2O5S/c1-21-14(20)11(8-22-9-5-3-2-4-6-9)16-13(19)10(15)7-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)