methyl (2S)-2-[[2-(tert-butylamino)-2-oxidanylidene-1-pyridin-2-yl-ethyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[2-(tert-butylamino)-2-oxidanylidene-1-pyridin-2-yl-ethyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-(tert-butylamino)-2-oxo-1-(2-pyridyl)ethyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-(tert-butylamino)-2-oxo-1-(2-pyridinyl)ethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(tert-butylamino)-2-keto-1-(2-pyridyl)ethyl]amino]-3-methyl-butyric acid methyl ester Formula: C17H27N3O3 MolecularWeight: 321.41458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(C1=CC=CC=N1)C(=O)NC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(C1=CC=CC=N1)C(=O)NC(C)(C)C

InChI

InChI=1S/C17H27N3O3/c1-11(2)13(16(22)23-6)19-14(12-9-7-8-10-18-12)15(21)20-17(3,4)5/h7-11,13-14,19H,1-6H3,(H,20,21)/t13-,14?/m0/s1