2-[1-tert-butyl-7-[(4-carbamimidoylphenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[1-tert-butyl-7-[(4-carbamimidoylphenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[1-tert-butyl-7-[(4-carbamimidoylbenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[1-tert-butyl-7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[1-tert-butyl-7-[(4-carbamimidoylbenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C2=C(CCN1CC(=O)O)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)C1C2=C(CCN1CC(=O)O)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H28N4O3/c1-23(2,3)20-18-12-17(9-8-14(18)10-11-27(20)13-19(28)29)26-22(30)16-6-4-15(5-7-16)21(24)25/h4-9,12,20H,10-11,13H2,1-3H3,(H3,24,25)(H,26,30)(H,28,29)