2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-hydroxy-butanoic acid CAS Name: 2-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[3-[(3,4-dimethylphenyl)thio]propanoylamino]-3-hydroxy-butyric acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-9-4-5-12(8-10(9)2)21-7-6-13(18)16-14(11(3)17)15(19)20/h4-5,8,11,14,17H,6-7H2,1-3H3,(H,16,18)(H,19,20)