(2S,5R)-1-[(2S)-2-acetamido-3-phenyl-propanoyl]-5-tert-butyl-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,5R)-1-[(2S)-2-acetamido-3-phenyl-propanoyl]-5-tert-butyl-N-methyl-pyrrolidine-2-carboxamide Openeye Name: (2S,5R)-1-[(2S)-2-acetamido-3-phenyl-propanoyl]-5-tert-butyl-N-methyl-pyrrolidine-2-carboxamide CAS Name: (2S,5R)-1-[(2S)-2-acetamido-1-oxo-3-phenylpropyl]-5-tert-butyl-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: (2S,5R)-1-[(2S)-2-acetamido-3-phenylpropanoyl]-5-tert-butyl-N-methylpyrrolidine-2-carboxamide Traditional Name: (2S,5R)-1-[(2S)-2-acetamido-3-phenyl-propanoyl]-5-tert-butyl-N-methyl-pyrrolidine-2-carboxamide Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)N2C(CCC2C(C)(C)C)C(=O)NC

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2[C@@H](CC[C@@H]2C(C)(C)C)C(=O)NC

InChI

InChI=1S/C21H31N3O3/c1-14(25)23-16(13-15-9-7-6-8-10-15)20(27)24-17(19(26)22-5)11-12-18(24)21(2,3)4/h6-10,16-18H,11-13H2,1-5H3,(H,22,26)(H,23,25)/t16-,17-,18+/m0/s1