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

Systemtic Name: 5-(3-aminocarbonylphenyl)-2-[(6-azanylpyridin-3-yl)methyl]-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-(3-carbamoylphenyl)-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-5-(3-carbamoylphenyl)-3-mercaptopentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-(3-carbamoylphenyl)-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-5-(3-carbamoylphenyl)-3-mercapto-valeric acid Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c19-16-7-5-12(10-21-16)9-14(18(23)24)15(25)6-4-11-2-1-3-13(8-11)17(20)22/h1-3,5,7-8,10,14-15,25H,4,6,9H2,(H2,19,21)(H2,20,22)(H,23,24)