(2S)-N-[(4-azanylcyclohexyl)methyl]-1-(3,3-dicyclohexylpropanoyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-azanylcyclohexyl)methyl]-1-(3,3-dicyclohexylpropanoyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(3,3-dicyclohexylpropanoyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(3,3-dicyclohexyl-1-oxopropyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(3,3-dicyclohexylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(3,3-dicyclohexylpropanoyl)pyrrolidine-2-carboxamide Formula: C27H47N3O2 MolecularWeight: 445.68098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)N2CCCC2C(=O)NCC3CCC(CC3)N)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)C(CC(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N)C4CCCCC4

InChI

InChI=1S/C27H47N3O2/c28-23-15-13-20(14-16-23)19-29-27(32)25-12-7-17-30(25)26(31)18-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h20-25H,1-19,28H2,(H,29,32)/t20?,23?,25-/m0/s1