2-azanyl-2-[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonyl-4-sulfanyl-butanoic acid

Systemtic Name: 2-azanyl-2-[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonyl-4-sulfanyl-butanoic acid Openeye Name: 2-amino-2-[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]-4-sulfanyl-butanoic acid CAS Name: 2-amino-4-mercapto-2-[oxo-[2-phenyl-4-(3-pyridinyloxymethyl)phenyl]methyl]butanoic acid IUPAC Name: 2-amino-2-[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]-4-sulfanylbutanoic acid Traditional Name: 2-amino-4-mercapto-2-[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]butyric acid Formula: C23H22N2O4S MolecularWeight: 422.49678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)C(CCS)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)C(CCS)(C(=O)O)N

InChI

InChI=1S/C23H22N2O4S/c24-23(10-12-30,22(27)28)21(26)19-9-8-16(15-29-18-7-4-11-25-14-18)13-20(19)17-5-2-1-3-6-17/h1-9,11,13-14,30H,10,12,15,24H2,(H,27,28)