Basic information
- CAS
2824-57-9- Standard SMILES
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O- InChIKey
XZECNVJPYDPBAM-ZDUSSCGKSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609237
Overview
RN given refers to (L)-isomer
Names & identifiers
- Preferred name
- N-Acetyl-L-tryptophan methyl ester
- IUPAC
- methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
- English name
- Ac-Trp-OMe
- Molecular formula
- C14H16N2O3
- Molecular weight
- 260.29
Names & synonyms
2824-57-9Methyl acetyltryptophanateL-Tryptophan, N-acetyl-, methyl esterN-Acetyl-L-tryptophan methyl esterN-Acetyltryptophan methyl esterMUP4Y18ZQ5RefChem:162825Methyl N-acetyl-L-tryptophanateAC-TRP-OMEmethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoateMethyl acetyl-L-tryptophanateMethyl L-N-acetyltryptophanate
Show more names
ACETYL-L-TRYPTOPHAN METHYL ESTERN-Ac-Trp-OMeAC-TRYPTOPHAN-OMEAC-TRP-OME USP/EP/BPTryptophan Impurity 41
(S)-Methyl 2-acetamido-3-(1H-indol-3-yl)propanoateMFCD00022759Acetyltryptophan methyl esterSCHEMBL468840DTXSID70950962AS-63456Ac-L-Trp-OMeD97613
Database identifiers
- CAS
2824-57-9- PubChem CID
- 102337
- DTXSID
DTXSID70950962- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 152.5 °C · 152.5 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 512.1 · 512.1±40.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- form
- Powder
- pka
- 14.73 · 14.73±0.46(Predicted)
- color
- Off-white to white
- FDA UNII
- 4 Y18ZQ5 · MUP4Y18ZQ5
Chemistry & industry
Applications
UsesSubstrate for chymotrypsin.
UsesMethyl (2S)-2-aAcetamido-3-(1H-indol-3-yl)propanoate is used in preparation of unsymmetric biaryl sulfides via iron catalyzed regioselective thioarylation of electron-rich arenes with N-(arylthio)succinimides.
Suppliers47 total
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [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]
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]
Related reactions
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Compound notes
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