(2S)-N-[(4-azanylcyclohexyl)methyl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-azanylcyclohexyl)methyl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[2-(methylamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C22H34N4O2 MolecularWeight: 386.53096

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3CCC(CC3)N

Isomeric SMILES

CNC(CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N

InChI

InChI=1S/C22H34N4O2/c1-24-19(14-16-6-3-2-4-7-16)22(28)26-13-5-8-20(26)21(27)25-15-17-9-11-18(23)12-10-17/h2-4,6-7,17-20,24H,5,8-15,23H2,1H3,(H,25,27)/t17?,18?,19?,20-/m0/s1