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

Systemtic Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclohexylamino)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclohexylamino)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzyl)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2/c22-20(23)16-10-8-15(9-11-16)13-25-21(28)18-7-4-12-26(18)19(27)14-24-17-5-2-1-3-6-17/h8-11,17-18,24H,1-7,12-14H2,(H3,22,23)(H,25,28)/t18-/m0/s1