4-azanyl-2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[3-(methylsulfanylmethyl)benzoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[3-(methylsulfanylmethyl)benzoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[[3-[(methylthio)methyl]benzoyl]amino]butyric acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-20-7-8-3-2-4-9(5-8)12(17)15-10(13(18)19)6-11(14)16/h2-5,10H,6-7H2,1H3,(H2,14,16)(H,15,17)(H,18,19)