Basic information
- CAS
152548-66-8- Standard SMILES
CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)OC(C)(C)C)C(=O)O- InChIKey
CYWWLVIEAOUXGW-FQEVSTJZSA-N- Molecular formula
- C24H27NO6
- Average molar mass
- 425.5 g/mol
Names & identifiers
- Preferred name
- N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester
- IUPAC
- (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
- English name
- Fmoc-N-methyl-L-aspartic acid 4-tert-butyl ester
- Molecular formula
- C24H27NO6
- Molecular weight
- 425.48
Names & synonyms
152548-66-8RefChem:828981N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester802-787-3Fmoc-N-Me-Asp(OtBu)-OHFmoc-MeAsp(OtBu)-OHfmoc-n-methyl-l-aspartic acid 4-tert-butyl esterMFCD00237027(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid(2S)-4-tert-butoxy-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxo-butanoic acidFmoc-N-Me-L-Asp(OtBu)-OHFmoc-N-methyl-L-aspartic acid b-tert-butyl ester
Show more names
FMOC-L-MEASP(TBU)-OHFmoc-L-NMe-Asp(OtBu)Fmoc-N-Me-Asp(OBu)-OHFMOC-N-ME-ASP(OBUT)-OHFmoc-N-Me-L-Asp（OtBu）-OHFmoc-N-Me-Asp(OtBu)-OH 97%
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acidN-Fmoc-N-methyl-L-aspartic Acid 4-tert-Butyl Ester(S)-2-[(9H-fluoren-9-ylmethoxycarbonyl)-methyl-amino]-succinic acid 4-tert-butyl esterAM84484SCHEMBL1759730SCHEMBL29401359SCHEMBL30191555CYWWLVIEAOUXGW-FQEVSTJZSA-N
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 649
Physicochemical properties
- Melting point
- 135 · 135-140°C
- Boiling point
- 598.7 · 598.7±50.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 1 % · Soluble in water or 1% acetic acid
- form
- Powder
- pka
- 3.59 · 3.59±0.23(Predicted)
- color
- White to off-white
- optical activity
- 22 · [α]22/D -39.0°, c = 0.5% in DMF
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C24H27NO6/c1-24(2,3)31-21(26)13-20(22(27)28)25(4)23(29)30-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,13-14H2,1-4H3,(H,27,28)/t20-/m0/s1
- InChIKey
- CYWWLVIEAOUXGW-FQEVSTJZSA-N
- SMILES
- C(O)(=O)[C@H](CC(OC(C)(C)C)=O)N(C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C
- CAS DataBase Reference
- 152548 · 152548-66-8(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (97.5%)
Safety data
- wgk
- 3
- hs_code
- 2924 29 70
- risk_code
- 50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- N
- safety_code
- 60-61
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesFmoc protected N-methyl amino acid suitable for solid phase peptide synthesis. N-methyl amino acids have been shown to improve proteolytic stability of peptides.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
普洛药业股份有限公司/浙江横店普洛进出口有限公司+86-0571-87635730 +86-13588737631
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
上海嘉莱多生物技术有限责任公司021-61732478 19946252459 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京欧凯纳斯生化科技有限公司010-62651721 18610486005 · [email protected]
Related reactions
1 records
Compound notes
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