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

Systemtic Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclohexyloxyethanoyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclohexoxy)acetyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclohexyloxy-1-oxoethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclohexyloxyacetyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzyl)-1-[2-(cyclohexoxy)acetyl]pyrrolidine-2-carboxamide Formula: C21H30N4O3 MolecularWeight: 386.4879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c22-20(23)16-10-8-15(9-11-16)13-24-21(27)18-7-4-12-25(18)19(26)14-28-17-5-2-1-3-6-17/h8-11,17-18H,1-7,12-14H2,(H3,22,23)(H,24,27)/t18-/m0/s1