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

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-(4-propylphenyl)-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-(4-propylphenyl)-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-3-mercapto-5-(4-propylphenyl)pentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-(4-propylphenyl)-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-3-mercapto-5-(4-propylphenyl)valeric acid Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CCC(C(CC2=CN=C(C=C2)N)C(=O)O)S

Isomeric SMILES

CCCC1=CC=C(C=C1)CCC(C(CC2=CN=C(C=C2)N)C(=O)O)S

InChI

InChI=1S/C20H26N2O2S/c1-2-3-14-4-6-15(7-5-14)8-10-18(25)17(20(23)24)12-16-9-11-19(21)22-13-16/h4-7,9,11,13,17-18,25H,2-3,8,10,12H2,1H3,(H2,21,22)(H,23,24)