tert-butyl 2-[[[(1R,3S)-3-oxidanylcyclohexyl]carbonylamino]methyl]butanoate

Systemtic Name: tert-butyl 2-[[[(1R,3S)-3-oxidanylcyclohexyl]carbonylamino]methyl]butanoate Openeye Name: tert-butyl 2-[[[(1R,3S)-3-hydroxycyclohexanecarbonyl]amino]methyl]butanoate CAS Name: 2-[[[[(1R,3S)-3-hydroxycyclohexyl]-oxomethyl]amino]methyl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[[(1R,3S)-3-hydroxycyclohexanecarbonyl]amino]methyl]butanoate Traditional Name: 2-[[[(1R,3S)-3-hydroxycyclohexanecarbonyl]amino]methyl]butyric acid tert-butyl ester Formula: C16H29NO4 MolecularWeight: 299.40576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CCCC(C1)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CNC(=O)[C@@H]1CCC[C@@H](C1)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H29NO4/c1-5-11(15(20)21-16(2,3)4)10-17-14(19)12-7-6-8-13(18)9-12/h11-13,18H,5-10H2,1-4H3,(H,17,19)/t11?,12-,13+/m1/s1