[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]propionic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)NC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H28N2O4/c1-15(24-21(27)17-11-13-18(14-12-17)23(3,4)5)22(28)29-16(2)20(26)25-19-9-7-6-8-10-19/h6-16H,1-5H3,(H,24,27)(H,25,26)/t15-,16+/m0/s1