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

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-[3-(ethenylcarbamoyl)phenyl]-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-3-sulfanyl-5-[3-(vinylcarbamoyl)phenyl]pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-5-[3-[(ethenylamino)-oxomethyl]phenyl]-3-mercaptopentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-[3-(ethenylcarbamoyl)phenyl]-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-3-mercapto-5-[3-(vinylcarbamoyl)phenyl]valeric acid Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-2-22-19(24)15-5-3-4-13(10-15)6-8-17(27)16(20(25)26)11-14-7-9-18(21)23-12-14/h2-5,7,9-10,12,16-17,27H,1,6,8,11H2,(H2,21,23)(H,22,24)(H,25,26)