4-[butyl-[C-(6,6-diaminocarbonyl-1-carbamimidoyl-3-phenyl-cyclohexa-2,4-dien-1-yl)carbonimidoyl]amino]butanoic acid

Systemtic Name: 4-[butyl-[C-(6,6-diaminocarbonyl-1-carbamimidoyl-3-phenyl-cyclohexa-2,4-dien-1-yl)carbonimidoyl]amino]butanoic acid Openeye Name: 4-[butyl-(1-carbamimidoyl-6,6-dicarbamoyl-3-phenyl-cyclohexa-2,4-diene-1-carboximidoyl)amino]butanoic acid CAS Name: 4-[butyl-[(1-carbamimidoyl-6,6-dicarbamoyl-3-phenyl-1-cyclohexa-2,4-dienyl)-iminomethyl]amino]butanoic acid IUPAC Name: 4-[butyl-(1-carbamimidoyl-6,6-dicarbamoyl-3-phenylcyclohexa-2,4-diene-1-carboximidoyl)amino]butanoic acid Traditional Name: 4-[(1-amidino-6,6-dicarbamoyl-3-phenyl-cyclohexa-2,4-diene-1-carboximidoyl)-butyl-amino]butyric acid Formula: C24H32N6O4 MolecularWeight: 468.54868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC(=O)O)C(=N)C1(C=C(C=CC1(C(=O)N)C(=O)N)C2=CC=CC=C2)C(=N)N

Isomeric SMILES

CCCCN(CCCC(=O)O)C(=N)C1(C=C(C=CC1(C(=O)N)C(=O)N)C2=CC=CC=C2)C(=N)N

InChI

InChI=1S/C24H32N6O4/c1-2-3-13-30(14-7-10-18(31)32)20(27)24(19(25)26)15-17(16-8-5-4-6-9-16)11-12-23(24,21(28)33)22(29)34/h4-6,8-9,11-12,15,27H,2-3,7,10,13-14H2,1H3,(H3,25,26)(H2,28,33)(H2,29,34)(H,31,32)