N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-[3,3-dicyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-[3,3-dicyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(6-carbamimidoyl-3-pyridyl)methyl]-1-[3,3-dicyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(6-carbamimidoyl-3-pyridinyl)methyl]-1-[3,3-dicyclohexyl-1-oxo-2-(sulfamoylamino)propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-[3,3-dicyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[(6-amidino-3-pyridyl)methyl]-1-[3,3-dicyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C27H43N7O4S MolecularWeight: 561.73982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N7O4S/c28-25(29)21-14-13-18(16-31-21)17-32-26(35)22-12-7-15-34(22)27(36)24(33-39(30,37)38)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h13-14,16,19-20,22-24,33H,1-12,15,17H2,(H3,28,29)(H,32,35)(H2,30,37,38)