[(2-benzenesulfonyl-ethyl)-BOC-amino]-acetic acid

HCID 69034616
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N(CCS(=O)(=O)c1ccccc1)CC(=O)O
InChIKey
GOSKPRJOBCGMCH-UHFFFAOYSA-N
Molecular formula
C15H21NO6S
Average molar mass
343.4 g/mol
Monoisotopic mass
343.10895856

Names & identifiers

Preferred name
[(2-benzenesulfonyl-ethyl)-BOC-amino]-acetic acid
IUPAC
2-[2-(benzenesulfonyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

Names & synonyms

SCHEMBL4415169GOSKPRJOBCGMCH-UHFFFAOYSA-N[(2-benzenesulfonyl-ethyl)-BOC-amino]-acetic acid

Database identifiers

PubChem CID
69034616

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
109 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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