3-pyridin-3-ylpropyl (2S)-2-[(3,3-dimethyl-2-oxidanylidene-butanoyl)amino]-3-methyl-butanoate

Systemtic Name: 3-pyridin-3-ylpropyl (2S)-2-[(3,3-dimethyl-2-oxidanylidene-butanoyl)amino]-3-methyl-butanoate Openeye Name: 3-(3-pyridyl)propyl (2S)-2-[(3,3-dimethyl-2-oxo-butanoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[(3,3-dimethyl-1,2-dioxobutyl)amino]-3-methylbutanoic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl (2S)-2-[(3,3-dimethyl-2-oxobutanoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-keto-3,3-dimethyl-butanoyl)amino]-3-methyl-butyric acid 3-(3-pyridyl)propyl ester Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCCC1=CN=CC=C1)NC(=O)C(=O)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCCC1=CN=CC=C1)NC(=O)C(=O)C(C)(C)C

InChI

InChI=1S/C19H28N2O4/c1-13(2)15(21-17(23)16(22)19(3,4)5)18(24)25-11-7-9-14-8-6-10-20-12-14/h6,8,10,12-13,15H,7,9,11H2,1-5H3,(H,21,23)/t15-/m0/s1