Basic information
- CAS
15136-29-5- Standard SMILES
COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C- InChIKey
KQKWBQWQIAVCLZ-JSGCOSHPSA-N- Molecular formula
- C18H26N2O5
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.18417193
Names & identifiers
- Preferred name
- N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-L-alanine methyl ester
- IUPAC
- methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoate
- English name
- BOC-PHE-ALA-OME
- Molecular formula
- C18H26N2O5
- Molecular weight
- 350.41
Names & synonyms
15136-29-5N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-L-alanine methyl esterN-((1,1-Dimethylethoxy)carbonyl)-L-phenylalanyl-L-alanine methyl esterRefChem:359508Boc-Phe-Ala-OMemethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoateSCHEMBL27506580DTXSID601155323AKOS015910319Methyl N-(tert-butoxycarbonyl)-L-phenylalanyl-L-alaninateL-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-, methyl ester(S)-Methyl 2-((S)-2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)propanoate
Show more names
Boc-L-Phe-L-Ala-OMeN-Boc-L-Phe-L-Ala-OMeREF DUPL: Boc-Phe-Ala-OMeBOC-L-PHENYLALANYL ALANYL METHYL ESTER(S)-methyl 2-((S)-2-(tert-butoxycarbonylamino)-3-phenylpropanamido)propanoate(S)-methyl 2-((S)-2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)propanoate(WXG03307)
Database identifiers
- CAS
15136-29-5- PubChem CID
- 10697741
- DTXSID
DTXSID601155323- Nikkaji
- J402.298J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Melting point
- 103 · 103-104 °C(Solv: chloroform (67-66-3); ligroine (8032-32-4))
- Boiling point
- 526 · 526.0±50.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- storage temp.
- 0 °C · Store at 0°C
- pka
- 11.29 · 11.29±0.46(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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