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

Systemtic Name: (2S)-N-[(4-azanylcyclohexyl)methyl]-1-(2,3-diphenylpropanoyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(2,3-diphenylpropanoyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(1-oxo-2,3-diphenylpropyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(2,3-diphenylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(2,3-diphenylpropanoyl)pyrrolidine-2-carboxamide Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCC4CCC(CC4)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C(CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCC4CCC(CC4)N

InChI

InChI=1S/C27H35N3O2/c28-23-15-13-21(14-16-23)19-29-26(31)25-12-7-17-30(25)27(32)24(22-10-5-2-6-11-22)18-20-8-3-1-4-9-20/h1-6,8-11,21,23-25H,7,12-19,28H2,(H,29,31)/t21?,23?,24?,25-/m0/s1