2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[2-(1H-indol-3-yl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[2-(1H-indol-3-yl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[2-(1H-indol-3-yl)ethylamino]-4-oxo-butanoic acid CAS Name: 2-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoic acid IUPAC Name: 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoic acid Traditional Name: 2-[5-(4-amidinophenyl)pentanoylamino]-4-[2-(1H-indol-3-yl)ethylamino]-4-keto-butyric acid Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CC(C(=O)O)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CC(C(=O)O)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H31N5O4/c27-25(28)18-11-9-17(10-12-18)5-1-4-8-23(32)31-22(26(34)35)15-24(33)29-14-13-19-16-30-21-7-3-2-6-20(19)21/h2-3,6-7,9-12,16,22,30H,1,4-5,8,13-15H2,(H3,27,28)(H,29,33)(H,31,32)(H,34,35)