2-[[2-(ethanoylsulfanylmethyl)-3-(4-hydroxyphenyl)butanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-(4-hydroxyphenyl)butanoyl]amino]propanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-(4-hydroxyphenyl)butanoyl]amino]propanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-3-(4-hydroxyphenyl)-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-(4-hydroxyphenyl)butanoyl]amino]propanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-(4-hydroxyphenyl)butanoyl]amino]propionic acid Formula: C16H21NO5S MolecularWeight: 339.40664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)O)C(CSC(=O)C)C(=O)NC(C)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)O)C(CSC(=O)C)C(=O)NC(C)C(=O)O

InChI

InChI=1S/C16H21NO5S/c1-9(12-4-6-13(19)7-5-12)14(8-23-11(3)18)15(20)17-10(2)16(21)22/h4-7,9-10,14,19H,8H2,1-3H3,(H,17,20)(H,21,22)