2-[[4-methoxy-4-oxidanylidene-2-(sulfanylmethyl)butanoyl]-methyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-methoxy-4-oxidanylidene-2-(sulfanylmethyl)butanoyl]-methyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-methoxy-4-oxo-2-(sulfanylmethyl)butanoyl]-methyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-4-methoxy-1,4-dioxobutyl]-methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-methoxy-4-oxo-2-(sulfanylmethyl)butanoyl]-methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-keto-2-(mercaptomethyl)-4-methoxy-butanoyl]-methyl-amino]-3-phenyl-propionic acid Formula: C16H21NO5S MolecularWeight: 339.40664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C(CC(=O)OC)CS

Isomeric SMILES

CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C(CC(=O)OC)CS

InChI

InChI=1S/C16H21NO5S/c1-17(15(19)12(10-23)9-14(18)22-2)13(16(20)21)8-11-6-4-3-5-7-11/h3-7,12-13,23H,8-10H2,1-2H3,(H,20,21)