Basic information
- Standard SMILES
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C- InChIKey
ZHAZNVULMASDSK-YESZJQIVSA-N- Molecular formula
- C19H37NO4
- Average molar mass
- 343.5 g/mol
Names & identifiers
- Preferred name
- (2S,3R,4S)-2-[(tert-Butyloxycarbonyl)amino]-1-cyclohexyl-3,4-dihydroxy-6-methylheptane
- IUPAC
- tert-butyl N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamate
Names & synonyms
CHEMBL432672SCHEMBL5709645ZHAZNVULMASDSK-YESZJQIVSA-N(2S,3R, 4S)-2-[(tert-Butyloxycarbonyl)amino]-1-cyclohexyl-3,4-dihydroxy-6-methylheptane(2S,3R,4S)-2-[(tert-Butyloxycarbonyl)amino]-1-cyclohexyl-3,4-dihydroxy-6-methylheptane(2s,3r,4s)-n-[(tert-butyloxy)carbonyl]-2-amino-1-cyclohexyl-3,4-dihydroxy-6-methylheptane2(S)-t-Butyloxycarbonylamino-1-cyclohexyl-3(R),4(S)-dihydroxy-6-methylheptane2(S)-t-Butyloxycarbonylamino-l-cyclohexyl-3(R),4(S)-dihydroxy-6-methylheptane
Database identifiers
- PubChem CID
- 9974740
- ChEMBL
CHEMBL432672- Nikkaji
- J545.466B
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 372
Related reactions
6 records
Compound notes
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