tert-butyl (2S)-4-(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: tert-butyl (2S)-4-(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: tert-butyl (2S)-2-(tert-butoxycarbonylamino)-4-(2-methyl-3-oxo-1H-pyrazol-4-yl)butanoate CAS Name: (2S)-4-(2-methyl-3-oxo-1H-pyrazol-4-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(2-methyl-3-oxo-1H-pyrazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-(5-keto-1-methyl-3-pyrazolin-4-yl)butyric acid tert-butyl ester Formula: C17H29N3O5 MolecularWeight: 355.42926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC1=CNN(C1=O)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCC1=CNN(C1=O)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H29N3O5/c1-16(2,3)24-14(22)12(19-15(23)25-17(4,5)6)9-8-11-10-18-20(7)13(11)21/h10,12,18H,8-9H2,1-7H3,(H,19,23)/t12-/m0/s1