tert-butyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-propylpyrimidin-4-yl)amino]propanoate

Systemtic Name: tert-butyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-propylpyrimidin-4-yl)amino]propanoate Openeye Name: tert-butyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-propylpyrimidin-4-yl)amino]propanoate CAS Name: (2S)-3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[(5-propyl-4-pyrimidinyl)amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-propylpyrimidin-4-yl)amino]propanoate Traditional Name: (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-propylpyrimidin-4-yl)amino]propionic acid tert-butyl ester Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=CN=C1NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC1=CN=CN=C1N[C@@H](CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H32N4O4/c1-7-8-17-14-24-15-25-20(17)26-19(21(28)31-23(2,3)4)13-16-9-11-18(12-10-16)30-22(29)27(5)6/h9-12,14-15,19H,7-8,13H2,1-6H3,(H,24,25,26)/t19-/m0/s1