2-azanyl-3-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-3-oxidanylidene-2-phenyl-propanoic acid

Systemtic Name: 2-azanyl-3-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-3-oxidanylidene-2-phenyl-propanoic acid Openeye Name: 2-amino-3-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-3-oxo-2-phenyl-propanoic acid CAS Name: 2-amino-3-[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-3-oxo-2-phenylpropanoic acid IUPAC Name: 2-amino-3-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-3-oxo-2-phenylpropanoic acid Traditional Name: 3-[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-2-amino-3-keto-2-phenyl-propionic acid Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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