(2S)-2-[[N-(2-methoxybenzyl)-N-(2-oxo-3,3-diphenylpropyl)amino)methyl]piperazine-1,4-dicarboxylic acid 4-benzyl ester 1-tert-butyl ester

HCID 69744922
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Basic information

Standard SMILES
COc1ccccc1CN(CC(=O)C(c1ccccc1)c1ccccc1)C[C@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C
InChIKey
HSRGCZSQBAIYPJ-DHUJRADRSA-N
Molecular formula
C41H47N3O6
Average molar mass
677.8 g/mol

Names & identifiers

Preferred name
(2S)-2-[[N-(2-methoxybenzyl)-N-(2-oxo-3,3-diphenylpropyl)amino)methyl]piperazine-1,4-dicarboxylic acid 4-benzyl ester 1-tert-butyl ester
IUPAC
4-O-benzyl 1-O-tert-butyl (2S)-2-[[(2-methoxyphenyl)methyl-(2-oxo-3,3-diphenylpropyl)amino]methyl]piperazine-1,4-dicarboxylate

Names & synonyms

(2S)-2-[[N-(2-methoxybenzyl)-N-(2-oxo-3,3-diphenylpropyl)amino)methyl]piperazine-1,4-dicarboxylic acid 4-benzyl ester 1-tert-butyl ester(2S)-2-[[N-(2-methoxybenzyl)-N-(2-oxo-3,3-diphenylpropyl)amino]methyl]piperazine-1,4-dicarboxylic acid 4-benzyl ester 1-tert-butyl esterSCHEMBL6333422HSRGCZSQBAIYPJ-DHUJRADRSA-N

Database identifiers

PubChem CID
69744922

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
88.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
15
Heavy atoms
50

Related reactions

1 records
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Compound notes

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