N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclohexyl-2-oxidanyl-ethanoyl)pyrrolidine-2-carboxamide; ethanoic acid

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclohexyl-2-oxidanyl-ethanoyl)pyrrolidine-2-carboxamide; ethanoic acid Openeye Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclohexyl-2-hydroxy-acetyl)pyrrolidine-2-carboxamide CAS Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclohexyl-2-hydroxy-1-oxoethyl)-2-pyrrolidinecarboxamide IUPAC Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclohexyl-2-hydroxyacetyl)pyrrolidine-2-carboxamide Traditional Name: acetic acid; N-(4-amidinobenzyl)-1-(2-cyclohexyl-2-hydroxy-acetyl)pyrrolidine-2-carboxamide Formula: C23H34N4O5 MolecularWeight: 446.53986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3.C2H4O2/c22-19(23)16-10-8-14(9-11-16)13-24-20(27)17-7-4-12-25(17)21(28)18(26)15-5-2-1-3-6-15;1-2(3)4/h8-11,15,17-18,26H,1-7,12-13H2,(H3,22,23)(H,24,27);1H3,(H,3,4)