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

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-[3-(2-fluoranylethylcarbamoyl)phenyl]-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-[3-(2-fluoroethylcarbamoyl)phenyl]-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-5-[3-[(2-fluoroethylamino)-oxomethyl]phenyl]-3-mercaptopentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-[3-(2-fluoroethylcarbamoyl)phenyl]-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-5-[3-(2-fluoroethylcarbamoyl)phenyl]-3-mercapto-valeric acid Formula: C20H24FN3O3S MolecularWeight: 405.486263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O3S/c21-8-9-23-19(25)15-3-1-2-13(10-15)4-6-17(28)16(20(26)27)11-14-5-7-18(22)24-12-14/h1-3,5,7,10,12,16-17,28H,4,6,8-9,11H2,(H2,22,24)(H,23,25)(H,26,27)