N-[(4-carbamimidoyl-2-oxidanyl-phenyl)methyl]-1-[2-(cyclohexylamino)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoyl-2-oxidanyl-phenyl)methyl]-1-[2-(cyclohexylamino)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoyl-2-hydroxy-phenyl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoyl-2-hydroxyphenyl)methyl]-1-[2-(cyclohexylamino)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoyl-2-hydroxyphenyl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidino-2-hydroxy-benzyl)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC(=O)N2CCCC2C(=O)NCC3=C(C=C(C=C3)C(=N)N)O

Isomeric SMILES

C1CCC(CC1)NCC(=O)N2CCCC2C(=O)NCC3=C(C=C(C=C3)C(=N)N)O

InChI

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