N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-(2-cyclohexyl-2-oxidanyl-ethanoyl)pyrrolidine-2-carboxamide; ethanoic acid

Systemtic Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-(2-cyclohexyl-2-oxidanyl-ethanoyl)pyrrolidine-2-carboxamide; ethanoic acid Openeye Name: acetic acid; N-[(6-carbamimidoyl-3-pyridyl)methyl]-1-(2-cyclohexyl-2-hydroxy-acetyl)pyrrolidine-2-carboxamide CAS Name: acetic acid; N-[(6-carbamimidoyl-3-pyridinyl)methyl]-1-(2-cyclohexyl-2-hydroxy-1-oxoethyl)-2-pyrrolidinecarboxamide IUPAC Name: acetic acid; N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-(2-cyclohexyl-2-hydroxyacetyl)pyrrolidine-2-carboxamide Traditional Name: acetic acid; N-[(6-amidino-3-pyridyl)methyl]-1-(2-cyclohexyl-2-hydroxy-acetyl)pyrrolidine-2-carboxamide Formula: C22H33N5O5 MolecularWeight: 447.52792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3.C2H4O2/c21-18(22)15-9-8-13(11-23-15)12-24-19(27)16-7-4-10-25(16)20(28)17(26)14-5-2-1-3-6-14;1-2(3)4/h8-9,11,14,16-17,26H,1-7,10,12H2,(H3,21,22)(H,24,27);1H3,(H,3,4)