({[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-methyl}-tert-butoxycarbonyl-amino)-acetic acid

HCID 59611182

Basic information

Standard SMILES
CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)NCC(=O)c1ccc(Br)cc1
InChIKey
UVVGJCAYLKZTBU-UHFFFAOYSA-N
Molecular formula
C17H21BrN2O6
Average molar mass
429.3 g/mol

Names & identifiers

Preferred name
({[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-methyl}-tert-butoxycarbonyl-amino)-acetic acid
IUPAC
2-[[2-[[2-(4-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

Names & synonyms

SCHEMBL203926UVVGJCAYLKZTBU-UHFFFAOYSA-N1256386-17-0DA-32253({[2-(4-bromo-phenyl)-2-oxo-ethylcarbamoyl]-methyl}-tert-butoxycarbonyl-amino)-acetic acid

Database identifiers

PubChem CID
59611182

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
113 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
26

Related reactions

12 records

Compound notes

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