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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(CC2=C(N1NCC(=O)O)C=CC(=C2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCC(=O)C1C(CC2=C(N1NCC(=O)O)C=CC(=C2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H28N4O4/c1-2-24(33)26-22(17-8-10-19(11-9-17)28(29)30)15-21-14-20(27(36)18-6-4-3-5-7-18)12-13-23(21)32(26)31-16-25(34)35/h3-14,22,26,31H,2,15-16H2,1H3,(H3,29,30)(H,34,35)