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

Systemtic Name: 2-[2-[[5-(1H-benzimidazol-2-ylamino)pentanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-3-yl]ethanoic acid Openeye Name: 2-[2-[[5-(1H-benzimidazol-2-ylamino)pentanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid CAS Name: 2-[2-[[[5-(1H-benzimidazol-2-ylamino)-1-oxopentyl]hydrazo]-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid IUPAC Name: 2-[2-[[5-(1H-benzimidazol-2-ylamino)pentanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid Traditional Name: 2-[2-[[5-(1H-benzimidazol-2-ylamino)pentanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid Formula: C24H28N6O4 MolecularWeight: 464.51692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)NNC(=O)CCCCNC3=NC4=CC=CC=C4N3)CC(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)NNC(=O)CCCCNC3=NC4=CC=CC=C4N3)CC(=O)O

InChI

InChI=1S/C24H28N6O4/c31-21(11-5-6-12-25-23-26-19-9-3-4-10-20(19)27-23)28-29-24(34)30-15-17-8-2-1-7-16(17)13-18(30)14-22(32)33/h1-4,7-10,18H,5-6,11-15H2,(H,28,31)(H,29,34)(H,32,33)(H2,25,26,27)