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

Systemtic Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxo-butanoic acid CAS Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 4-[4-(4-amidinophenyl)butylamino]-3-(benzyloxycarbonylamino)-4-keto-butyric acid Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5/c24-21(25)18-11-9-16(10-12-18)6-4-5-13-26-22(30)19(14-20(28)29)27-23(31)32-15-17-7-2-1-3-8-17/h1-3,7-12,19H,4-6,13-15H2,(H3,24,25)(H,26,30)(H,27,31)(H,28,29)