(2S)-1-[(2R)-2-azanyl-2-cyclohexyl-ethanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2/c22-18(15-5-2-1-3-6-15)21(28)26-12-4-7-17(26)20(27)25-13-14-8-10-16(11-9-14)19(23)24/h8-11,15,17-18H,1-7,12-13,22H2,(H3,23,24)(H,25,27)/t17-,18+/m0/s1