2-azanyl-2-(2-phenylphenyl)carbonyl-5-pyridin-3-yloxy-4-sulfanyl-pentanoic acid

Systemtic Name: 2-azanyl-2-(2-phenylphenyl)carbonyl-5-pyridin-3-yloxy-4-sulfanyl-pentanoic acid Openeye Name: 2-amino-2-(2-phenylbenzoyl)-5-(3-pyridyloxy)-4-sulfanyl-pentanoic acid CAS Name: 2-amino-4-mercapto-2-[oxo-(2-phenylphenyl)methyl]-5-(3-pyridinyloxy)pentanoic acid IUPAC Name: 2-amino-2-(2-phenylbenzoyl)-5-pyridin-3-yloxy-4-sulfanylpentanoic acid Traditional Name: 2-amino-4-mercapto-2-(2-phenylbenzoyl)-5-(3-pyridyloxy)valeric acid Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(CC(COC3=CN=CC=C3)S)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(CC(COC3=CN=CC=C3)S)(C(=O)O)N

InChI

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