3-azanyl-4-[[3-(2,6-dimethylphenyl)sulfanyl-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[3-(2,6-dimethylphenyl)sulfanyl-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-[(2,6-dimethylphenyl)sulfanylmethyl]-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[3-[(2,6-dimethylphenyl)thio]-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[3-(2,6-dimethylphenyl)sulfanyl-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-[[(2,6-dimethylphenyl)thio]methyl]-2-keto-2-methoxy-ethyl]amino]-4-keto-butyric acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)SCC(C(=O)OC)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)SCC(C(=O)OC)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C16H22N2O5S/c1-9-5-4-6-10(2)14(9)24-8-12(16(22)23-3)18-15(21)11(17)7-13(19)20/h4-6,11-12H,7-8,17H2,1-3H3,(H,18,21)(H,19,20)