HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

Benzhydryl (2R-(1(R*),2alpha,3alpha))-alpha-(isopropenyl)-4-oxo-3-((phenoxyacetyl)amino)-2-(((p-tolyl)sulphonyl)thio)azetidine-1-acetate

HCID 5484259
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
57561-95-2
Standard SMILES
C=C(C)[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)[C@H]1SS(=O)(=O)c1ccc(C)cc1
InChIKey
ZZGBMZSDIUZQCL-AIHMXRNHSA-N
Molecular formula
C36H34N2O7S2
Average molar mass
670.8 g/mol
Monoisotopic mass
670.18074377

Names & identifiers

Preferred name
Benzhydryl (2R-(1(R*),2alpha,3alpha))-alpha-(isopropenyl)-4-oxo-3-((phenoxyacetyl)amino)-2-(((p-tolyl)sulphonyl)thio)azetidine-1-acetate
IUPAC
benzhydryl (2R)-3-methyl-2-[(2R)-2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate

Names & synonyms

57561-95-2EINECS 260-807-0Benzhydryl (2R-(1(R*),2alpha,3alpha))-alpha-(isopropenyl)-4-oxo-3-((phenoxyacetyl)amino)-2-(((p-tolyl)sulphonyl)thio)azetidine-1-acetateDTXSID70973136N-{(2R)-1-[(2R)-1-(Diphenylmethoxy)-3-methyl-1-oxobut-3-en-2-yl]-2-[(4-methylbenzene-1-sulfonyl)sulfanyl]-4-oxoazetidin-3-yl}(phenoxy)ethanimidic acidN-{1-[1-(Diphenylmethoxy)-3-methyl-1-oxobut-3-en-2-yl]-2-[(4-methylbenzene-1-sulfonyl)sulfanyl]-4-oxoazetidin-3-yl}-2-phenoxyethanimidic acid

Database identifiers

CAS
57561-95-2
PubChem CID
5484259
DTXSID
DTXSID70973136
EC Number
260-807-0

Properties

Computed structural properties

XLogP
7.1
Topological polar surface area
153 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
14
Heavy atoms
47
Formal charge
0
Complexity
1,180

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes