N-formyl-beta-L-aspartyl-L-phenylalanine methyl ester
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Basic information
- CAS
87093-92-3- Standard SMILES
COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC=O)C(=O)O- InChIKey
ZEBUKQKZQCTVEU-RYUDHWBXSA-N- Molecular formula
- C15H18N2O6
- Average molar mass
- 322.31 g/mol
- Monoisotopic mass
- 322.1164863
Names & identifiers
- Preferred name
- N-formyl-beta-L-aspartyl-L-phenylalanine methyl ester
- IUPAC
- (2S)-2-formamido-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
- English name
- N-Formyl-L-βAsp-L-Phe-OMe
- Molecular formula
- C15H18N2O6
- Molecular weight
- 322.31322
Names & synonyms
SCHEMBL6833045ZEBUKQKZQCTVEU-RYUDHWBXSA-NN-formyl-beta-L-aspartyl-L-phenylalanine methyl ester
Database identifiers
- CAS
87093-92-3- PubChem CID
- 13340697
- Nikkaji
- J195.815A
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 434
Related reactions
1 records
Compound notes
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