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

Systemtic Name: tert-butyl 4-[(2S)-3-methyl-2-(2-phenylethanoylamino)butanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-3-methyl-1-oxo-2-[(1-oxo-2-phenylethyl)amino]butyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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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)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H33N3O4/c1-16(2)19(23-18(26)15-17-9-7-6-8-10-17)20(27)24-11-13-25(14-12-24)21(28)29-22(3,4)5/h6-10,16,19H,11-15H2,1-5H3,(H,23,26)/t19-/m0/s1