methyl (2S,3S)-2-[[5-(tert-butylcarbamoyl)-4-oxidanylidene-1-propan-2-yl-pyridin-3-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[[5-(tert-butylcarbamoyl)-4-oxidanylidene-1-propan-2-yl-pyridin-3-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[[5-(tert-butylcarbamoyl)-1-isopropyl-4-oxo-pyridine-3-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[5-[(tert-butylamino)-oxomethyl]-4-oxo-1-propan-2-yl-3-pyridinyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[5-(tert-butylcarbamoyl)-1-isopropyl-4-keto-nicotinoyl]amino]-3-methyl-valeric acid methyl ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1=CN(C=C(C1=O)C(=O)NC(C)(C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O5/c1-9-13(4)16(20(28)29-8)22-18(26)14-10-24(12(2)3)11-15(17(14)25)19(27)23-21(5,6)7/h10-13,16H,9H2,1-8H3,(H,22,26)(H,23,27)/t13-,16-/m0/s1