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

Systemtic Name: ethyl 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-pyridin-2-ylsulfonyl-butanoate Openeye Name: ethyl 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(2-pyridylsulfonyl)butanoate CAS Name: 2-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-(2-pyridinylsulfonyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-pyridin-2-ylsulfonylbutanoate Traditional Name: 2-[5-(4-amidinophenyl)pentanoylamino]-4-(2-pyridylsulfonyl)butyric acid ethyl ester Formula: C23H30N4O5S MolecularWeight: 474.5731

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCS(=O)(=O)C1=CC=CC=N1)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)C(CCS(=O)(=O)C1=CC=CC=N1)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C23H30N4O5S/c1-2-32-23(29)19(14-16-33(30,31)21-9-5-6-15-26-21)27-20(28)8-4-3-7-17-10-12-18(13-11-17)22(24)25/h5-6,9-13,15,19H,2-4,7-8,14,16H2,1H3,(H3,24,25)(H,27,28)