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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexyl-2-oxidanyl-propanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexyl-2-hydroxy-propanoyl)pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexyl-2-hydroxy-1-oxopropyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexyl-2-hydroxypropanoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-(3-cyclohexyl-2-hydroxy-propanoyl)pyrrolidine-2-carboxamide Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O3/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/h8-11,15,18-19,27H,1-7,12-14H2,(H3,23,24)(H,25,28)