(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]-N-(p-tolylmethyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(3R)-3-amino-1-oxo-4-phenylbutyl]-N-[(4-methylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(3R)-3-amino-4-phenylbutanoyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]-N-(4-methylbenzyl)pyrrolidine-2-carboxamide Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCCN2C(=O)CC(CC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C23H29N3O2/c1-17-9-11-19(12-10-17)16-25-23(28)21-8-5-13-26(21)22(27)15-20(24)14-18-6-3-2-4-7-18/h2-4,6-7,9-12,20-21H,5,8,13-16,24H2,1H3,(H,25,28)/t20-,21+/m1/s1