5-[4-(4-carbamimidoylphenyl)butylamino]-5-oxidanylidene-2-(3-phenylpropanoylamino)pentanoic acid

Systemtic Name: 5-[4-(4-carbamimidoylphenyl)butylamino]-5-oxidanylidene-2-(3-phenylpropanoylamino)pentanoic acid Openeye Name: 5-[4-(4-carbamimidoylphenyl)butylamino]-5-oxo-2-(3-phenylpropanoylamino)pentanoic acid CAS Name: 5-[4-(4-carbamimidoylphenyl)butylamino]-5-oxo-2-[(1-oxo-3-phenylpropyl)amino]pentanoic acid IUPAC Name: 5-[4-(4-carbamimidoylphenyl)butylamino]-5-oxo-2-(3-phenylpropanoylamino)pentanoic acid Traditional Name: 5-[4-(4-amidinophenyl)butylamino]-2-(hydrocinnamoylamino)-5-keto-valeric acid Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CCC(=O)NCCCCC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(CCC(=O)NCCCCC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C25H32N4O4/c26-24(27)20-12-9-19(10-13-20)8-4-5-17-28-22(30)16-14-21(25(32)33)29-23(31)15-11-18-6-2-1-3-7-18/h1-3,6-7,9-10,12-13,21H,4-5,8,11,14-17H2,(H3,26,27)(H,28,30)(H,29,31)(H,32,33)