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

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-[3-(3-oxidanylpyrrolidin-1-yl)carbonylphenyl]-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-5-[3-[(3-hydroxy-1-pyrrolidinyl)-oxomethyl]phenyl]-3-mercaptopentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-5-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-mercapto-valeric acid Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)C(=O)C2=CC(=CC=C2)CCC(C(CC3=CN=C(C=C3)N)C(=O)O)S

Isomeric SMILES

C1CN(CC1O)C(=O)C2=CC(=CC=C2)CCC(C(CC3=CN=C(C=C3)N)C(=O)O)S

InChI

InChI=1S/C22H27N3O4S/c23-20-7-5-15(12-24-20)11-18(22(28)29)19(30)6-4-14-2-1-3-16(10-14)21(27)25-9-8-17(26)13-25/h1-3,5,7,10,12,17-19,26,30H,4,6,8-9,11,13H2,(H2,23,24)(H,28,29)