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

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-(4-methoxyphenyl)-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-(4-methoxyphenyl)-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-3-mercapto-5-(4-methoxyphenyl)pentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-(4-methoxyphenyl)-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-3-mercapto-5-(4-methoxyphenyl)valeric acid Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(C(CC2=CN=C(C=C2)N)C(=O)O)S

Isomeric SMILES

COC1=CC=C(C=C1)CCC(C(CC2=CN=C(C=C2)N)C(=O)O)S

InChI

InChI=1S/C18H22N2O3S/c1-23-14-6-2-12(3-7-14)4-8-16(24)15(18(21)22)10-13-5-9-17(19)20-11-13/h2-3,5-7,9,11,15-16,24H,4,8,10H2,1H3,(H2,19,20)(H,21,22)