2-[(6-azanylpyridin-3-yl)methyl]-5-(3-phenylphenyl)-3-sulfanyl-pentanoic acid

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-(3-phenylphenyl)-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-(3-phenylphenyl)-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-3-mercapto-5-(3-phenylphenyl)pentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-(3-phenylphenyl)-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-3-mercapto-5-(3-phenylphenyl)valeric acid Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)CCC(C(CC3=CN=C(C=C3)N)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)CCC(C(CC3=CN=C(C=C3)N)C(=O)O)S

InChI

InChI=1S/C23H24N2O2S/c24-22-12-10-17(15-25-22)14-20(23(26)27)21(28)11-9-16-5-4-8-19(13-16)18-6-2-1-3-7-18/h1-8,10,12-13,15,20-21,28H,9,11,14H2,(H2,24,25)(H,26,27)