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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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