N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexyl-2-oxidanyl-propanoyl)pyrrolidine-2-carboxamide; ethanoic acid

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexyl-2-oxidanyl-propanoyl)pyrrolidine-2-carboxamide; ethanoic acid Openeye Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexyl-2-hydroxy-propanoyl)pyrrolidine-2-carboxamide CAS Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexyl-2-hydroxy-1-oxopropyl)-2-pyrrolidinecarboxamide IUPAC Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexyl-2-hydroxypropanoyl)pyrrolidine-2-carboxamide Traditional Name: acetic acid; N-(4-amidinobenzyl)-1-(3-cyclohexyl-2-hydroxy-propanoyl)pyrrolidine-2-carboxamide Formula: C24H36N4O5 MolecularWeight: 460.56644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O3.C2H4O2/c23-20(24)17-10-8-16(9-11-17)14-25-21(28)18-7-4-12-26(18)22(29)19(27)13-15-5-2-1-3-6-15;1-2(3)4/h8-11,15,18-19,27H,1-7,12-14H2,(H3,23,24)(H,25,28);1H3,(H,3,4)