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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)O)C(=O)NNC(=O)CCCCNC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)O)C(=O)NNC(=O)CCCCNC3=NC4=CC=CC=C4N3

InChI

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