4-azanyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-4-oxo-2-[3-(p-tolylsulfanyl)propanoylamino]butanoic acid CAS Name: 4-amino-2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[3-(4-methylphenyl)sulfanylpropanoylamino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[3-(p-tolylthio)propanoylamino]butyric acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C14H18N2O4S/c1-9-2-4-10(5-3-9)21-7-6-13(18)16-11(14(19)20)8-12(15)17/h2-5,11H,6-8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)