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

Systemtic Name: (2S)-2-[(3-ethylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(3-ethylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-ethylanilino)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(3-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3-ethylphenyl)carbamoylamino]-4-(methylthio)butyrate Formula: C14H19N2O3S- MolecularWeight: 295.37726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C14H20N2O3S/c1-3-10-5-4-6-11(9-10)15-14(19)16-12(13(17)18)7-8-20-2/h4-6,9,12H,3,7-8H2,1-2H3,(H,17,18)(H2,15,16,19)/p-1/t12-/m0/s1