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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[4-methoxy-4-oxidanylidene-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[4-methoxy-4-oxo-2-(sulfanylmethyl)butanoyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-(mercaptomethyl)-4-methoxy-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[4-methoxy-4-oxo-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[4-keto-2-(mercaptomethyl)-4-methoxy-butanoyl]amino]propionic acid Formula: C15H19NO6S MolecularWeight: 341.37946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO6S/c1-22-13(18)7-10(8-23)14(19)16-12(15(20)21)6-9-2-4-11(17)5-3-9/h2-5,10,12,17,23H,6-8H2,1H3,(H,16,19)(H,20,21)