(2S)-2-[(3-methoxyphenyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(3-methoxyphenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(3-methoxyphenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-methoxyanilino)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(3-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3-methoxyphenyl)carbamoylamino]-4-(methylthio)butyrate Formula: C13H17N2O4S- MolecularWeight: 297.35008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C13H18N2O4S/c1-19-10-5-3-4-9(8-10)14-13(18)15-11(12(16)17)6-7-20-2/h3-5,8,11H,6-7H2,1-2H3,(H,16,17)(H2,14,15,18)/p-1/t11-/m0/s1