tert-butyl 4-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H33N3O5/c1-16(2)18(23-20(27)29-15-17-9-7-6-8-10-17)19(26)24-11-13-25(14-12-24)21(28)30-22(3,4)5/h6-10,16,18H,11-15H2,1-5H3,(H,23,27)/t18-/m0/s1