3-pyridin-3-ylpropyl (2S)-2-[(3,3-dimethyl-2-oxidanylidene-butanoyl)amino]-4-methyl-pentanoate

Systemtic Name: 3-pyridin-3-ylpropyl (2S)-2-[(3,3-dimethyl-2-oxidanylidene-butanoyl)amino]-4-methyl-pentanoate Openeye Name: 3-(3-pyridyl)propyl (2S)-2-[(3,3-dimethyl-2-oxo-butanoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[(3,3-dimethyl-1,2-dioxobutyl)amino]-4-methylpentanoic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl (2S)-2-[(3,3-dimethyl-2-oxobutanoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(2-keto-3,3-dimethyl-butanoyl)amino]-4-methyl-valeric acid 3-(3-pyridyl)propyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-14(2)12-16(22-18(24)17(23)20(3,4)5)19(25)26-11-7-9-15-8-6-10-21-13-15/h6,8,10,13-14,16H,7,9,11-12H2,1-5H3,(H,22,24)/t16-/m0/s1