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

Systemtic Name: 3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)-[(2-methylphenyl)methyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-methoxy-2-oxo-1-(sulfanylmethyl)ethyl]-(o-tolylmethyl)amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[(3-mercapto-1-methoxy-1-oxopropan-2-yl)-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(1-methoxy-1-oxo-3-sulfanylpropan-2-yl)-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-[[2-keto-1-(mercaptomethyl)-2-methoxy-ethyl]-(2-methylbenzyl)amino]butyric acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C(CS)C(=O)OC)C(=O)C(CC(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1CN(C(CS)C(=O)OC)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C16H22N2O5S/c1-10-5-3-4-6-11(10)8-18(13(9-24)16(22)23-2)15(21)12(17)7-14(19)20/h3-6,12-13,24H,7-9,17H2,1-2H3,(H,19,20)