4-(phenylcarbonylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoic acid

Systemtic Name: 4-(phenylcarbonylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoic acid Openeye Name: 4-benzoylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid CAS Name: 4-(benzoylthio)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoic acid IUPAC Name: 4-benzoylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid Traditional Name: 4-(benzoylthio)-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid Formula: C21H23NO7S MolecularWeight: 433.47482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCSC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCSC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H23NO7S/c1-27-16-11-14(12-17(28-2)18(16)29-3)19(23)22-15(20(24)25)9-10-30-21(26)13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,22,23)(H,24,25)