[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCCC#N)NC(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCCC#N)NC(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C19H25N3O4/c1-13(18(25)26-12-16(23)21-11-5-10-20)22-17(24)14-6-8-15(9-7-14)19(2,3)4/h6-9,13H,5,11-12H2,1-4H3,(H,21,23)(H,22,24)/t13-/m0/s1