(2S)-1-[(2R)-2-(cyclohexylcarbonylamino)-3-phenyl-propanoyl]-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2R)-2-(cyclohexylcarbonylamino)-3-phenyl-propanoyl]-N-methyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-(cyclohexanecarbonylamino)-3-phenyl-propanoyl]-N-methyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-[[cyclohexyl(oxo)methyl]amino]-1-oxo-3-phenylpropyl]-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R)-2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2R)-2-(cyclohexanecarbonylamino)-3-phenyl-propanoyl]-N-methyl-pyrrolidine-2-carboxamide Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C22H31N3O3/c1-23-21(27)19-13-8-14-25(19)22(28)18(15-16-9-4-2-5-10-16)24-20(26)17-11-6-3-7-12-17/h2,4-5,9-10,17-19H,3,6-8,11-15H2,1H3,(H,23,27)(H,24,26)/t18-,19+/m1/s1