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

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-(3-pyrrolidin-1-ylcarbonylphenyl)-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-[3-(pyrrolidine-1-carbonyl)phenyl]-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-3-mercapto-5-[3-[oxo(1-pyrrolidinyl)methyl]phenyl]pentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-[3-(pyrrolidine-1-carbonyl)phenyl]-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-3-mercapto-5-[3-(pyrrolidine-1-carbonyl)phenyl]valeric acid Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)CCC(C(CC3=CN=C(C=C3)N)C(=O)O)S

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)CCC(C(CC3=CN=C(C=C3)N)C(=O)O)S

InChI

InChI=1S/C22H27N3O3S/c23-20-9-7-16(14-24-20)13-18(22(27)28)19(29)8-6-15-4-3-5-17(12-15)21(26)25-10-1-2-11-25/h3-5,7,9,12,14,18-19,29H,1-2,6,8,10-11,13H2,(H2,23,24)(H,27,28)