4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxidanylidene-3-(3-phenylpropanoylamino)butanoic acid

Systemtic Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxidanylidene-3-(3-phenylpropanoylamino)butanoic acid Openeye Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxo-3-(3-phenylpropanoylamino)butanoic acid CAS Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxo-3-[(1-oxo-3-phenylpropyl)amino]butanoic acid IUPAC Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxo-3-(3-phenylpropanoylamino)butanoic acid Traditional Name: 4-[4-(4-amidinophenyl)butylamino]-3-(hydrocinnamoylamino)-4-keto-butyric acid Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4/c25-23(26)19-12-9-18(10-13-19)8-4-5-15-27-24(32)20(16-22(30)31)28-21(29)14-11-17-6-2-1-3-7-17/h1-3,6-7,9-10,12-13,20H,4-5,8,11,14-16H2,(H3,25,26)(H,27,32)(H,28,29)(H,30,31)