Basic information
- CAS
2382-80-1- Standard SMILES
CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C=O- InChIKey
LYXGYFZZVMODTB-AWEZNQCLSA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.13174244
Names & identifiers
- Preferred name
- Ethyl n-formyl-n-methyl-l-tryptophanate
- IUPAC
- ethyl (2S)-2-[formyl(methyl)amino]-3-(1H-indol-3-yl)propanoate
- English name
- Ac-Trp-OEt
- Molecular formula
- C15H18N2O3
- Molecular weight
- 274.32
Names & synonyms
ethyl n-formyl-n-methyl-l-tryptophanateDTXSID20946618Ethyl N-formyl-N-methyltryptophanateN-ACETYL-L-TRYPTOPHAN ETHYL ESTERDbs-Trp-OHAc-Trp-OEtAc-L-Trp-OEtN-Ac-Trp-OEtAc-Trp-OEtAc-TN-Ac-L-Trp-OEtAc-Trp-Oet ,≥99%AC-TRYPTOPHAN-OET
Show more names
H-N-ACETYL-TRP-OET
Database identifiers
- CAS
2382-80-1- PubChem CID
- 75423
- DTXSID
DTXSID20946618
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 112 · 112-114 °C(lit.)
- Boiling point
- 417.3 °C · 417.3°C (rough estimate)
- Density
- 1.123 · 1.1230 (rough estimate)
- refractive index
- 6.5 ° · 6.5 ° (C=2, EtOH)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 14.82 · 14.82±0.46(Predicted)
- color
- White to Light yellow to Light orange
- optical activity
- 20 · [α]20/D +45°, c = 0.5 in chloroform
- Water Solubility
- 1.47 g/L · 1.47g/L(28 ºC)
- InChI
- InChI=1S/C15H18N2O3/c1-3-20-15(19)14(17-10(2)18)8-11-9-16-13-7-5-4-6-12(11)13/h4-7,9,14,16H,3,8H2,1-2H3,(H,17,18)/t14-/m0/s1
- InChIKey
- KQGQONPKSKUHHT-AWEZNQCLSA-N
- SMILES
- C(OCC)(=O)[C@H](CC1C2=C(C=CC=C2)NC=1)NC(C)=O
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
- hs_code
- 29339900
- safety_code
- 24/25
Chemistry & industry
Applications
UsesSubstrate for chymotrypsin and carboxypeptidase Y.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
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]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…