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

Systemtic Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]carbonyl-cyclohexyl-amino]ethanoic acid Openeye Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbonyl]-cyclohexyl-amino]acetic acid CAS Name: 2-[[[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-oxomethyl]-cyclohexylamino]acetic acid IUPAC Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbonyl]-cyclohexylamino]acetic acid Traditional Name: 2-[[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbonyl]-cyclohexyl-amino]acetic acid Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCC(CC1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H34N4O4/c29-27(30)20-11-8-19(9-12-20)10-15-25(33)31-16-4-5-21-17-22(13-14-24(21)31)28(36)32(18-26(34)35)23-6-2-1-3-7-23/h8-9,11-14,17,23H,1-7,10,15-16,18H2,(H3,29,30)(H,34,35)