N-[(4-carbamimidoylphenyl)methyl]-1-[3,3-dicyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3,3-dicyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3,3-dicyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3,3-dicyclohexyl-1-oxo-2-(sulfamoylamino)propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3,3-dicyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[3,3-dicyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C28H44N6O4S MolecularWeight: 560.75176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2CCCCC2)C(C(=O)N3CCCC3C(=O)NCC4=CC=C(C=C4)C(=N)N)NS(=O)(=O)N

Isomeric SMILES

C1CCC(CC1)C(C2CCCCC2)C(C(=O)N3CCCC3C(=O)NCC4=CC=C(C=C4)C(=N)N)NS(=O)(=O)N

InChI

InChI=1S/C28H44N6O4S/c29-26(30)22-15-13-19(14-16-22)18-32-27(35)23-12-7-17-34(23)28(36)25(33-39(31,37)38)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h13-16,20-21,23-25,33H,1-12,17-18H2,(H3,29,30)(H,32,35)(H2,31,37,38)