(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexyl-1-oxopropyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide Formula: C22H32N4O2 MolecularWeight: 384.51508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCC(CC1)CCC(=O)N2CCC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H32N4O2/c23-21(24)18-11-8-17(9-12-18)15-25-22(28)19-7-4-14-26(19)20(27)13-10-16-5-2-1-3-6-16/h8-9,11-12,16,19H,1-7,10,13-15H2,(H3,23,24)(H,25,28)/t19-/m0/s1