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

Systemtic Name: propan-2-yl 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-pyridin-2-ylsulfonyl-butanoate Openeye Name: isopropyl 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(2-pyridylsulfonyl)butanoate CAS Name: 2-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-(2-pyridinylsulfonyl)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-pyridin-2-ylsulfonylbutanoate Traditional Name: 2-[5-(4-amidinophenyl)pentanoylamino]-4-(2-pyridylsulfonyl)butyric acid isopropyl ester Formula: C24H32N4O5S MolecularWeight: 488.59968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O5S/c1-17(2)33-24(30)20(14-16-34(31,32)22-9-5-6-15-27-22)28-21(29)8-4-3-7-18-10-12-19(13-11-18)23(25)26/h5-6,9-13,15,17,20H,3-4,7-8,14,16H2,1-2H3,(H3,25,26)(H,28,29)