tert-butyl 1-[(2S,3S)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]-4-methyl-piperidine-2-carboxylate

Systemtic Name: tert-butyl 1-[(2S,3S)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]-4-methyl-piperidine-2-carboxylate Openeye Name: tert-butyl 1-[(2S,3S)-3-amino-2-hydroxy-4-phenyl-butanoyl]-4-methyl-piperidine-2-carboxylate CAS Name: 1-[(2S,3S)-3-amino-2-hydroxy-1-oxo-4-phenylbutyl]-4-methyl-2-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutanoyl]-4-methylpiperidine-2-carboxylate Traditional Name: 1-[(2S,3S)-3-amino-2-hydroxy-4-phenyl-butanoyl]-4-methyl-pipecolinic acid tert-butyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)C(=O)OC(C)(C)C)C(=O)C(C(CC2=CC=CC=C2)N)O

Isomeric SMILES

CC1CCN(C(C1)C(=O)OC(C)(C)C)C(=O)[C@H]([C@H](CC2=CC=CC=C2)N)O

InChI

InChI=1S/C21H32N2O4/c1-14-10-11-23(17(12-14)20(26)27-21(2,3)4)19(25)18(24)16(22)13-15-8-6-5-7-9-15/h5-9,14,16-18,24H,10-13,22H2,1-4H3/t14?,16-,17?,18-/m0/s1