2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(phenylcarbonyl)amino]ethanoic acid

Systemtic Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(phenylcarbonyl)amino]ethanoic acid Openeye Name: 2-[benzoyl-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]acetic acid CAS Name: 2-[benzoyl-[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]amino]acetic acid IUPAC Name: 2-[benzoyl-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]acetic acid Traditional Name: 2-[[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-benzoyl-amino]acetic acid Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)N(CC(=O)O)C(=O)C3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC2=C(C=CC(=C2)N(CC(=O)O)C(=O)C3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H28N4O4/c29-27(30)20-11-8-19(9-12-20)10-15-25(33)31-16-4-7-22-17-23(13-14-24(22)31)32(18-26(34)35)28(36)21-5-2-1-3-6-21/h1-3,5-6,8-9,11-14,17H,4,7,10,15-16,18H2,(H3,29,30)(H,34,35)