Basic information
- CAS
20767-00-4- Standard SMILES
CC(=O)NC(Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O- InChIKey
CFKZKLOBRPCKTF-UHFFFAOYSA-N- Molecular formula
- C11H11N3O8
- Average molar mass
- 313.22 g/mol
- Monoisotopic mass
- 313.05461432
Names & identifiers
- Preferred name
- 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
- IUPAC
- 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
- English name
- N-Acetyl-3,5-dinitro-L-tyrosine
- Molecular formula
- C11H11N3O8
- Molecular weight
- 313.22
Names & synonyms
n-acetyl-3,5-dinitrotyrosine2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acidNSC83259NCIOpen2_009100NSC-83259STK6395463,5-DINITROACETYL-L-TYROSINEAKOS002286699AKOS016045031N-acetyl-3-5-dinitro-L-tyrosine*crystallineST501893392-(acetylamino)-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
Show more names
Ac-Tyr(3,5-NO2)-OHAc-Tyr(3,5-DiNO2)-OHAC-3,5-DINITRO-TYR-OHACETYL-3,5-DINITRO-L-TYROSINEN-ACETYL-3,5-DINITRO-L-TYROSINEL-Tyrosine, N-acetyl-3,5-dinitro-N-Acetyl-3,5-dinitro-L-tyrosine USP/EP/BP
Database identifiers
- CAS
20767-00-4- PubChem CID
- 256409
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Melting point
- 189 · 189-190 °C
- Boiling point
- 583.2 · 583.2±50.0 °C(Predicted)
- Density
- 1.607 · 1.607±0.06 g/cm3(Predicted)
- vapor pressure
- 0 · 0-0.057Pa at 30-150℃
- storage temp.
- 2 · 2-8°C
- pka
- 2.8 · 2.80±0.10(Predicted)
- LogP
- 0.3 at · 0.3 at 25℃ and pH7
- CAS DataBase Reference
- 20767 · 20767-00-4(CAS DataBase Reference)
- Symbol(GHS)
- 3 · GHS03
- Signal word
- Warning
- Hazard statements
- 272 · H272
- Precautionary statements
- 210 · P210-P220-P221P280-P370+P378-P501
- WGK Germany
- 3 · 3
- REACH Registrations
- Active
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
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS03
- Hazard statements
- H272
- REACH Registrations
- Active
- Precautionary statements
- P210-P220-P221P280-P370+P378-P501
Chemistry & industry
Applications
UsesN-Acetyl-3,5-dinitro-L-tyrosine is a pepsin inhibitor and have been used to study the hydrolysis actions of the substrate-binding region of the active center of the enzyme.
Suppliers49 total
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
凯试(上海)科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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