3-[(2S)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: 3-[(2S)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: 3-[(1S)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]thio]propanoate IUPAC Name: 3-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[(1S)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl]thio]propionate Formula: C13H15N2O4S- MolecularWeight: 295.3342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SCCC(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)SCCC(=O)[O-]

InChI

InChI=1S/C13H16N2O4S/c1-8(20-7-6-11(16)17)13(19)15-10-4-2-9(3-5-10)12(14)18/h2-5,8H,6-7H2,1H3,(H2,14,18)(H,15,19)(H,16,17)/p-1/t8-/m0/s1