2-[2-[[5-(pyridin-2-ylamino)pentanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[[5-(pyridin-2-ylamino)pentanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[[5-(2-pyridylamino)pentanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[oxo-[[1-oxo-5-(2-pyridinylamino)pentyl]hydrazo]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[[5-(pyridin-2-ylamino)pentanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[[5-(2-pyridylamino)pentanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C22H27N5O4 MolecularWeight: 425.48088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)O)C(=O)NNC(=O)CCCCNC3=CC=CC=N3

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)O)C(=O)NNC(=O)CCCCNC3=CC=CC=N3

InChI

InChI=1S/C22H27N5O4/c28-20(10-4-6-13-24-19-9-3-5-12-23-19)25-26-22(31)27-14-11-16-7-1-2-8-17(16)18(27)15-21(29)30/h1-3,5,7-9,12,18H,4,6,10-11,13-15H2,(H,23,24)(H,25,28)(H,26,31)(H,29,30)