methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate
Basic information
- CAS
1004880-63-0- Standard SMILES
COC(=O)c1ccc(Oc2coc3cc(OC(=O)[C@H](C)NC(=O)OCc4ccccc4)ccc3c2=O)cc1- InChIKey
VZAHOSALCPHDSX-KRWDZBQOSA-N- Molecular formula
- C28H23NO9
- Average molar mass
- 517.5 g/mol
- Monoisotopic mass
- 517.13728132
Names & identifiers
- Preferred name
- methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate
- IUPAC
- methyl 4-[4-oxo-7-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]oxychromen-3-yl]oxybenzoate
Names & synonyms
Oprea1_242806DTXSID001112953STL303581AKOS016360404methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate1004880-63-0Methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-1-benzopyran-3-yl]oxy}benzoateN-[(Phenylmethoxy)carbonyl]-L-alanine 3-[4-(methoxycarbonyl)phenoxy]-4-oxo-4H-1-benzopyran-7-yl ester
Database identifiers
- CAS
1004880-63-0- PubChem CID
- 1952015
- DTXSID
DTXSID001112953
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 889
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Related reactions
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Compound notes
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