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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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