1-[2-(butylsulfonylamino)-3-oxidanyl-propanoyl]-N-[(4-carbamimidoylphenyl)methyl]-2,5-dihydropyrrole-2-carboxamide

Systemtic Name: 1-[2-(butylsulfonylamino)-3-oxidanyl-propanoyl]-N-[(4-carbamimidoylphenyl)methyl]-2,5-dihydropyrrole-2-carboxamide Openeye Name: 1-[2-(butylsulfonylamino)-3-hydroxy-propanoyl]-N-[(4-carbamimidoylphenyl)methyl]-2,5-dihydropyrrole-2-carboxamide CAS Name: 1-[2-(butylsulfonylamino)-3-hydroxy-1-oxopropyl]-N-[(4-carbamimidoylphenyl)methyl]-2,5-dihydropyrrole-2-carboxamide IUPAC Name: 1-[2-(butylsulfonylamino)-3-hydroxypropanoyl]-N-[(4-carbamimidoylphenyl)methyl]-2,5-dihydropyrrole-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-(butylsulfonylamino)-3-hydroxy-propanoyl]-3-pyrroline-2-carboxamide Formula: C20H29N5O5S MolecularWeight: 451.53976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CO)C(=O)N1CC=CC1C(=O)NCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCCS(=O)(=O)NC(CO)C(=O)N1CC=CC1C(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H29N5O5S/c1-2-3-11-31(29,30)24-16(13-26)20(28)25-10-4-5-17(25)19(27)23-12-14-6-8-15(9-7-14)18(21)22/h4-9,16-17,24,26H,2-3,10-13H2,1H3,(H3,21,22)(H,23,27)