2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-2-(1,3-thiazol-4-yl)propanoic acid

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-2-(1,3-thiazol-4-yl)propanoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-2-thiazol-4-yl-propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-2-(4-thiazolyl)propanoic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-2-(1,3-thiazol-4-yl)propanoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-2-thiazol-4-yl-propionic acid Formula: C16H18N2O3S2 MolecularWeight: 350.45572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CSC=N1)(C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

CC(C1=CSC=N1)(C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C16H18N2O3S2/c1-16(15(20)21,13-9-23-10-17-13)18-14(19)12(8-22)7-11-5-3-2-4-6-11/h2-6,9-10,12,22H,7-8H2,1H3,(H,18,19)(H,20,21)