4-Ethoxycarbonyl-1-(1-(benzyloxycarbonyl)amino-3-(1,1-dimethylethoxycarbonyl)propyl)carbonylpiperazine

HCID 22017481

Basic information

Standard SMILES
CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)CC1
InChIKey
KPWMOVKJWMPHGC-UHFFFAOYSA-N
Molecular formula
C24H35N3O7
Average molar mass
477.5 g/mol
Monoisotopic mass
477.24750046

Names & identifiers

Preferred name
4-Ethoxycarbonyl-1-(1-(benzyloxycarbonyl)amino-3-(1,1-dimethylethoxycarbonyl)propyl)carbonylpiperazine
IUPAC
ethyl 4-[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL317119KPWMOVKJWMPHGC-UHFFFAOYSA-N4-ethoxycarbonyl-1-(1-(benzyloxycarbonyl)amino-3-(1,1-dimethylethoxycarbonyl)propyl)carbonylpiperazine

Database identifiers

PubChem CID
22017481

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
114 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
34

Related reactions

5 records

Compound notes

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