2-[(6-azanylpyridin-3-yl)methyl]-5-naphthalen-1-yl-3-sulfanyl-pentanoic acid

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-naphthalen-1-yl-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-(1-naphthyl)-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-3-mercapto-5-(1-naphthalenyl)pentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-naphthalen-1-yl-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-3-mercapto-5-(1-naphthyl)valeric acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCC(C(CC3=CN=C(C=C3)N)C(=O)O)S

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCC(C(CC3=CN=C(C=C3)N)C(=O)O)S

InChI

InChI=1S/C21H22N2O2S/c22-20-11-8-14(13-23-20)12-18(21(24)25)19(26)10-9-16-6-3-5-15-4-1-2-7-17(15)16/h1-8,11,13,18-19,26H,9-10,12H2,(H2,22,23)(H,24,25)