3-[[8-(4-carbamimidoylpiperazin-1-yl)-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[8-(4-carbamimidoylpiperazin-1-yl)-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[8-(4-carbamimidoylpiperazin-1-yl)-4-oxo-quinolizine-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[8-(4-carbamimidoyl-1-piperazinyl)-4-oxo-3-quinolizinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[8-(4-carbamimidoylpiperazin-1-yl)-4-oxoquinolizine-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[8-(4-amidinopiperazino)-4-keto-quinolizine-3-carbonyl]amino]-3-phenyl-propionic acid Formula: C24H26N6O4 MolecularWeight: 462.50104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=CC=C(C(=O)N3C=C2)C(=O)NC(CC(=O)O)C4=CC=CC=C4)C(=N)N

Isomeric SMILES

C1CN(CCN1C2=CC3=CC=C(C(=O)N3C=C2)C(=O)NC(CC(=O)O)C4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C24H26N6O4/c25-24(26)29-12-10-28(11-13-29)17-8-9-30-18(14-17)6-7-19(23(30)34)22(33)27-20(15-21(31)32)16-4-2-1-3-5-16/h1-9,14,20H,10-13,15H2,(H3,25,26)(H,27,33)(H,31,32)