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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)NNC(=O)CCCCNC3=NC=CN3)CC(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)NNC(=O)CCCCNC3=NC=CN3)CC(=O)O

InChI

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