3-[2-azanyl-3-(3-ethoxybutanoyl)-4-oxidanyl-phenyl]-2-[(2-phenyl-2-sulfanyl-ethanoyl)amino]propanoic acid

Systemtic Name: 3-[2-azanyl-3-(3-ethoxybutanoyl)-4-oxidanyl-phenyl]-2-[(2-phenyl-2-sulfanyl-ethanoyl)amino]propanoic acid Openeye Name: 3-[2-amino-3-(3-ethoxybutanoyl)-4-hydroxy-phenyl]-2-[(2-phenyl-2-sulfanyl-acetyl)amino]propanoic acid CAS Name: 3-[2-amino-3-(3-ethoxy-1-oxobutyl)-4-hydroxyphenyl]-2-[(2-mercapto-1-oxo-2-phenylethyl)amino]propanoic acid IUPAC Name: 3-[2-amino-3-(3-ethoxybutanoyl)-4-hydroxyphenyl]-2-[(2-phenyl-2-sulfanylacetyl)amino]propanoic acid Traditional Name: 3-[2-amino-3-(3-ethoxybutanoyl)-4-hydroxy-phenyl]-2-[(2-mercapto-2-phenyl-acetyl)amino]propionic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)CC(=O)C1=C(C=CC(=C1N)CC(C(=O)O)NC(=O)C(C2=CC=CC=C2)S)O

Isomeric SMILES

CCOC(C)CC(=O)C1=C(C=CC(=C1N)CC(C(=O)O)NC(=O)C(C2=CC=CC=C2)S)O

InChI

InChI=1S/C23H28N2O6S/c1-3-31-13(2)11-18(27)19-17(26)10-9-15(20(19)24)12-16(23(29)30)25-22(28)21(32)14-7-5-4-6-8-14/h4-10,13,16,21,26,32H,3,11-12,24H2,1-2H3,(H,25,28)(H,29,30)