2-[(6-azanylpyridin-3-yl)methyl]-5-[4-(phenylmethyl)phenyl]-3-sulfanyl-pentanoic acid

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-[4-(phenylmethyl)phenyl]-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-(4-benzylphenyl)-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-3-mercapto-5-[4-(phenylmethyl)phenyl]pentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-(4-benzylphenyl)-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-5-(4-benzylphenyl)-3-mercapto-valeric acid Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)CCC(C(CC3=CN=C(C=C3)N)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)CCC(C(CC3=CN=C(C=C3)N)C(=O)O)S

InChI

InChI=1S/C24H26N2O2S/c25-23-13-11-20(16-26-23)15-21(24(27)28)22(29)12-10-17-6-8-19(9-7-17)14-18-4-2-1-3-5-18/h1-9,11,13,16,21-22,29H,10,12,14-15H2,(H2,25,26)(H,27,28)