Basic information
- CAS
22839-65-2- Standard SMILES
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O- InChIKey
IAOZJIPTCAWIRG-WDEREUQCSA-N- Molecular formula
- C14H18N2O5
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.12157168
Names & identifiers
- Preferred name
- Methyl L-alpha-aspartyl-D-phenylalanate
- IUPAC
- (3S)-3-amino-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
- English name
- L-alpha-Aspartyl-D-phenylalanine methyl ester
- Molecular formula
- C14H18N2O5
- Molecular weight
- 294.3
Names & synonyms
L-alpha-Aspartyl-D-phenylalanine methyl ester22839-65-283860AQE03Methyl L-alpha-aspartyl-D-phenylalanateUNII-83860AQE03alpha-L-Aspartyl-D-phenylalanine methyl esterD-Phenylalanine, N-L-alpha-aspartyl-, 1-methyl ester.ALPHA.-L-ASPARTYL-D-PHENYLALANINE METHYL ESTERRefChem:201726(3S)-3-amino-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acidSCHEMBL8761655CHEMBL2110238
Show more names
L-α-Aspartyl-D-phenylalanine Methyl EsterD-Phenylalanine, L-α-aspartyl-, 2-methyl ester
Database identifiers
- CAS
22839-65-2- PubChem CID
- 6992065
- ChEMBL
CHEMBL2110238- UNII
- 83860AQE03
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- FDA UNII
- 83860 AQE03 · 83860AQE03
Chemistry & industry
Suppliers6 total
中科华药(江苏)生物科技有限公司18020125070 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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