3-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-azanyl-propanoic acid

Systemtic Name: 3-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-azanyl-propanoic acid Openeye Name: 2-amino-3-[2-(4-carbamoylanilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(4-carbamoylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(4-carbamoylanilino)-2-keto-ethyl]thio]propionic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=O)CSCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C12H15N3O4S/c13-9(12(18)19)5-20-6-10(16)15-8-3-1-7(2-4-8)11(14)17/h1-4,9H,5-6,13H2,(H2,14,17)(H,15,16)(H,18,19)