Basic information
- CAS
1221189-11-2- Standard SMILES
CC(OC(=O)NCCCC[C@H](N)C(=O)O)c1cc2c(cc1[N+](=O)[O-])OCO2- InChIKey
ZXXFKVZFDGUTQW-UMJHXOGRSA-N- Molecular formula
- C16H21N3O8
- Average molar mass
- 383.35 g/mol
- Monoisotopic mass
- 383.13286464
Overview
N-epsilon-((1-(6-nitrobenzo[d][1,3]dioxol-5-yl)ethoxy)carbonyl)-L-lysine is an organic molecular entity.
Names & identifiers
- Preferred name
- (2S)-2-Amino-6-(((1-(6-nitrobenzo[d][1,3]dioxol-5-yl)ethoxy)carbonyl)amino)hexanoic acid
- IUPAC
- (2S)-2-amino-6-[1-(6-nitro-1,3-benzodioxol-5-yl)ethoxycarbonylamino]hexanoic acid
- English name
- (2S)-2-aMino-6-((1-(6-nitrobenzo[d][1,3]dioxol-5-yl)ethoxy)carbonylaMino)hexanoic acid
- Molecular formula
- C16H21N3O8
- Molecular weight
- 383.35
Names & synonyms
1221189-11-2(2S)-2-Amino-6-(((1-(6-nitrobenzo[d][1,3]dioxol-5-yl)ethoxy)carbonyl)amino)hexanoic acidMethyl-o-nitropiperonyllysine(2S)-2-aMino-6-((1-(6-nitrobenzo[d][1,3]dioxol-5-yl)ethoxy)carbonylaMino)hexanoic acidN-epsilon-((1-(6-nitrobenzo[d][1,3]dioxol-5-yl)ethoxy)carbonyl)-L-lysine(2S)-2-amino-6-[1-(6-nitro-1,3-benzodioxol-5-yl)ethoxycarbonylamino]hexanoic acidmNPKSCHEMBL878483CHEBI:233056AS-89154G70295N6-[[1-(6-Nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl]-L-lysine
Show more names
(2S)-2-Amino-6-(((1-(6-nitrobenzo[d][1,3]dioxol-5-yl)ethoxy)carbonyl)amino)hexanoic acid , mNPK
L-Lysine, N6-[[1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl]-N6-((1-(6-nitrobenzo[d][1,3]dioxol-5-yl)ethoxy)carbonyl)-L-lysineN6-[[1-(6-nitro-1,3,-benzodioxol-5-yl)ethoxy]carbonyl]-L-lysine hydrochloride
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 540
Physicochemical properties
- Boiling point
- 633.3 · 633.3±55.0 °C(Predicted)
- Density
- 1.406 · 1.406±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 2.53 · 2.53±0.24(Predicted)
- form
- powder
- InChI
- 1S/C16H21N3O8/c1-9(27-16(22)18-5-3-2-4-11(17)15(20)21)10-6-13-14(26-8-25-13)7-12(10)19(23)24/h6-7,9,11H,2-5,8,17H2,1H3,(H,18,22)(H,20,21)/t9,11-/m0/s1
- InChIKey
- ZXXFKVZFDGUTQW-UMJHXOGRSA-N
- SMILES
- [N+](=O)([O-])c1cc2c(cc1C(OC(=O)NCCCC[C@H](N)C(=O)O)C)OCO2
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesMethyl-o-nitropiperonyllysine (mNPK) trifluoroacetic acid is a photo-responsive unnatural amino acid (UAA) for spatiotemporal control of biological molecules or processes as reported by Kneuttinger et al. Irradiation with UV light decages the Lys amino acid, freeing the residue or protein for biological activity. Tools such as mNPK will find wide utility in light regulation of activity, allostery, and enzyme pathways.Product can be used with our line of photoreactors: Including Penn PhD (Z744035) & SynLED 2.0 (Z744080)
Suppliers5 total
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
湖北骓慕医药科技有限公司17362621266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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