N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-(3-cyclohexyl-2-oxidanyl-propanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-(3-cyclohexyl-2-oxidanyl-propanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[(6-carbamimidoyl-3-pyridyl)methyl]-1-(3-cyclohexyl-2-hydroxy-propanoyl)pyrrolidine-2-carboxamide CAS Name: N-[(6-carbamimidoyl-3-pyridinyl)methyl]-1-(3-cyclohexyl-2-hydroxy-1-oxopropyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-(3-cyclohexyl-2-hydroxypropanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[(6-amidino-3-pyridyl)methyl]-1-(3-cyclohexyl-2-hydroxy-propanoyl)pyrrolidine-2-carboxamide Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NCC3=CN=C(C=C3)C(=N)N)O

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NCC3=CN=C(C=C3)C(=N)N)O

InChI

InChI=1S/C21H31N5O3/c22-19(23)16-9-8-15(12-24-16)13-25-20(28)17-7-4-10-26(17)21(29)18(27)11-14-5-2-1-3-6-14/h8-9,12,14,17-18,27H,1-7,10-11,13H2,(H3,22,23)(H,25,28)