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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4S/c26-22(25-21(10-12-30)23(27)28)19-9-8-16(15-29-18-7-4-11-24-14-18)13-20(19)17-5-2-1-3-6-17/h1-9,11,13-14,21,30H,10,12,15H2,(H,25,26)(H,27,28)