2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[2-(4-methoxyphenyl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[2-(4-methoxyphenyl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[2-(4-methoxyphenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 2-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 2-[5-(4-amidinophenyl)pentanoylamino]-4-keto-4-[2-(4-methoxyphenyl)ethylamino]butyric acid Formula: C25H32N4O5 MolecularWeight: 468.54538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CC(C(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CC(C(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C25H32N4O5/c1-34-20-12-8-18(9-13-20)14-15-28-23(31)16-21(25(32)33)29-22(30)5-3-2-4-17-6-10-19(11-7-17)24(26)27/h6-13,21H,2-5,14-16H2,1H3,(H3,26,27)(H,28,31)(H,29,30)(H,32,33)