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

Systemtic Name: 2-[2-[[5-(1H-imidazol-2-ylamino)pentanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[[5-(1H-imidazol-2-ylamino)pentanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[[[5-(1H-imidazol-2-ylamino)-1-oxopentyl]hydrazo]-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[[5-(1H-imidazol-2-ylamino)pentanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[[5-(1H-imidazol-2-ylamino)pentanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)O)C(=O)NNC(=O)CCCCNC3=NC=CN3

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)O)C(=O)NNC(=O)CCCCNC3=NC=CN3

InChI

InChI=1S/C20H26N6O4/c27-17(7-3-4-9-21-19-22-10-11-23-19)24-25-20(30)26-12-8-14-5-1-2-6-15(14)16(26)13-18(28)29/h1-2,5-6,10-11,16H,3-4,7-9,12-13H2,(H,24,27)(H,25,30)(H,28,29)(H2,21,22,23)