tert-butyl N-[(3S,4S,5S)-4-ethynyl-2,6-dimethyl-5-oxidanyl-heptan-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S,4S,5S)-4-ethynyl-2,6-dimethyl-5-oxidanyl-heptan-3-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S,3S)-2-ethynyl-3-hydroxy-1-isopropyl-4-methyl-pentyl]carbamate CAS Name: N-[(3S,4S,5S)-4-ethynyl-5-hydroxy-2,6-dimethylheptan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S,4S,5S)-4-ethynyl-5-hydroxy-2,6-dimethylheptan-3-yl]carbamate Traditional Name: N-[(1S,2S)-2-[(1S)-1-hydroxy-2-methyl-propyl]-1-isopropyl-but-3-ynyl]carbamic acid tert-butyl ester Formula: C16H29NO3 MolecularWeight: 283.40636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C#C)C(C(C)C)O)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H29NO3/c1-9-12(14(18)11(4)5)13(10(2)3)17-15(19)20-16(6,7)8/h1,10-14,18H,2-8H3,(H,17,19)/t12-,13-,14-/m0/s1