2-Tert-butoxycarbonylamino-5-(3,4-dimethoxy-phenyl)-5-oxo-pentanoic acid benzyl ester

HCID 69155477
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Basic information

Standard SMILES
COc1ccc(C(=O)CCC(NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)cc1OC
InChIKey
MIYMXMGXDXMXMO-UHFFFAOYSA-N
Molecular formula
C25H31NO7
Average molar mass
457.5 g/mol
Monoisotopic mass
457.21005233

Names & identifiers

Preferred name
2-Tert-butoxycarbonylamino-5-(3,4-dimethoxy-phenyl)-5-oxo-pentanoic acid benzyl ester
IUPAC
benzyl 5-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

Names & synonyms

SCHEMBL4709255MIYMXMGXDXMXMO-UHFFFAOYSA-N2-tert-butoxycarbonylamino-5-(3,4-dimethoxy-phenyl)-5-oxo-pentanoic acid benzyl ester

Database identifiers

PubChem CID
69155477

Properties

Computed structural properties

XLogP
4
Topological polar surface area
100 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
13
Heavy atoms
33

Related reactions

3 records
New reaction record

Compound notes

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