(2S)-N-[(4-azanylcyclohexyl)methyl]-1-[(2R,3S)-1-ethanoyl-3-phenyl-pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-azanylcyclohexyl)methyl]-1-[(2R,3S)-1-ethanoyl-3-phenyl-pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R,3S)-1-acetyl-3-phenyl-pyrrolidine-2-carbonyl]-N-[(4-aminocyclohexyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[(2R,3S)-1-acetyl-3-phenyl-2-pyrrolidinyl]-oxomethyl]-N-[(4-aminocyclohexyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R,3S)-1-acetyl-3-phenylpyrrolidine-2-carbonyl]-N-[(4-aminocyclohexyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2R,3S)-1-acetyl-3-phenyl-prolyl]-N-[(4-aminocyclohexyl)methyl]pyrrolidine-2-carboxamide Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(C1C(=O)N2CCCC2C(=O)NCC3CCC(CC3)N)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CC[C@H]([C@@H]1C(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N)C4=CC=CC=C4

InChI

InChI=1S/C25H36N4O3/c1-17(30)28-15-13-21(19-6-3-2-4-7-19)23(28)25(32)29-14-5-8-22(29)24(31)27-16-18-9-11-20(26)12-10-18/h2-4,6-7,18,20-23H,5,8-16,26H2,1H3,(H,27,31)/t18?,20?,21-,22-,23+/m0/s1