[(2S)-4-azanyl-4-oxidanylidene-2-(quinolin-2-ylcarbonylamino)butanoyl] 2,2-dimethylpropanoate

Systemtic Name: [(2S)-4-azanyl-4-oxidanylidene-2-(quinolin-2-ylcarbonylamino)butanoyl] 2,2-dimethylpropanoate Openeye Name: [(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2S)-4-amino-1,4-dioxo-2-[[oxo(2-quinolinyl)methyl]amino]butyl] ester IUPAC Name: [(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2S)-4-amino-4-keto-2-(quinaldoylamino)butanoyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(=O)C(CC(=O)N)NC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)(C)C(=O)OC(=O)[C@H](CC(=O)N)NC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C19H21N3O5/c1-19(2,3)18(26)27-17(25)14(10-15(20)23)22-16(24)13-9-8-11-6-4-5-7-12(11)21-13/h4-9,14H,10H2,1-3H3,(H2,20,23)(H,22,24)/t14-/m0/s1