N-Tosyl-D,L-isoleucine diazomethyl ketone
Basic information
- CAS
72676-74-5- Standard SMILES
CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)C=[N+]=[N-]- InChIKey
GTLNDAVKPAJMCJ-BXUZGUMPSA-N- Molecular formula
- C14H19N3O3S
- Average molar mass
- 309.39 g/mol
- Monoisotopic mass
- 309.11471265
Names & identifiers
- Preferred name
- N-Tosyl-D,L-isoleucine diazomethyl ketone
- IUPAC
- N-[(3R,4R)-1-diazo-4-methyl-2-oxohexan-3-yl]-4-methylbenzenesulfonamide
Names & synonyms
N-Tosyl-D,L-isoleucine diazomethyl ketoneN-Tosyl-DL-isoleucine diazomethyl ketone(+-)-(R*,R*)-N-(1-(Diazoacetyl)-2-methylbutyl)-p-toluenesulfonamide72676-74-5p-Toluenesulfonamide, N-(1-(diazoacetyl)-2-methylbutyl)-, (R*,R*)- (+-)-Benzenesulfonamide, N-(1-(diazoacetyl)-2-methylbutyl)-4-methyl-, (R*,R*)-(+-)-
Database identifiers
- CAS
72676-74-5- PubChem CID
- 3055643
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 498
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Compound notes
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