3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-pyridin-2-ylsulfonyl-butanoate

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-pyridin-2-ylsulfonyl-butanoate Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(2-pyridylsulfonyl)butanoate CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-(2-pyridinylsulfonyl)butanoate IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-pyridin-2-ylsulfonylbutanoate Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-4-(2-pyridylsulfonyl)butyrate Formula: C21H25N4O5S- MolecularWeight: 445.512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)S(=O)(=O)CC(CC(=O)[O-])NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=NC(=C1)S(=O)(=O)CC(CC(=O)[O-])NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H26N4O5S/c22-21(23)16-10-8-15(9-11-16)5-1-2-6-18(26)25-17(13-20(27)28)14-31(29,30)19-7-3-4-12-24-19/h3-4,7-12,17H,1-2,5-6,13-14H2,(H3,22,23)(H,25,26)(H,27,28)/p-1