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

Systemtic Name: 2-azanyl-3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(benzylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(benzylamino)-2-keto-ethyl]thio]propionic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C12H16N2O3S/c13-10(12(16)17)7-18-8-11(15)14-6-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)(H,16,17)