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

Systemtic Name: 2-[[4-methoxy-4-oxidanylidene-2-(sulfanylmethyl)butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-methoxy-4-oxo-2-(sulfanylmethyl)butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-4-methoxy-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-methoxy-4-oxo-2-(sulfanylmethyl)butanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-keto-2-(mercaptomethyl)-4-methoxy-butanoyl]amino]-3-phenyl-propionic acid Formula: C15H19NO5S MolecularWeight: 325.38006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CS)C(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

COC(=O)CC(CS)C(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H19NO5S/c1-21-13(17)8-11(9-22)14(18)16-12(15(19)20)7-10-5-3-2-4-6-10/h2-6,11-12,22H,7-9H2,1H3,(H,16,18)(H,19,20)