Cnk 6001
Basic information
- CAS
175413-86-2- Standard SMILES
C[C@H]1OC(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)C(=S)NC1=O- InChIKey
MFRQILPBKHSQCZ-RARYBDLZSA-N- Molecular formula
- C12H14N4O5S
- Average molar mass
- 326.33 g/mol
- Monoisotopic mass
- 326.06849073
Overview
RN given refers to (3R-cis)-isomer; structure given in first source
Names & identifiers
- Preferred name
- Cnk 6001
- IUPAC
- (2S)-3-(1H-imidazol-5-yl)-2-[[(6R)-6-methyl-5-oxo-3-sulfanylidenemorpholine-2-carbonyl]amino]propanoic acid
Names & synonyms
Cnk 6001175413-86-2Cnk-6001RefChem:127186N-(((3R,6R)-6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl)-L-histidine(2S)-3-(1H-imidazol-5-yl)-2-[[(6R)-6-methyl-5-oxo-3-sulfanylidenemorpholine-2-carbonyl]amino]propanoic acidDTXSID90938661N-[Hydroxy(5-hydroxy-6-methyl-3-sulfanylidene-3,6-dihydro-2H-1,4-oxazin-2-yl)methylidene]histidinatoN-{Hydroxy[(6R)-5-hydroxy-6-methyl-3-sulfanylidene-3,6-dihydro-2H-1,4-oxazin-2-yl]methylidene}-L-histidine
Database identifiers
- CAS
175413-86-2- PubChem CID
- 3036155
- DTXSID
DTXSID90938661
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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