chempirical

Benzhydryl 6,6-dihydropenicillic acid 1-oxide[tazobactam intermediate]

C21H21NO4SCAS 87579-78-0383.46 g/mol

Open in Covalent MOL file
NSOOOO
AmideEsterLactamSulfoxide

Properties

Molecular formula
C21H21NO4S
Molar mass
383.46 g/mol
Exact mass
383.1191 Da
logP
2.79Crippen estimate
Polar surface area
63.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4
Stereocentres
S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
87579-78-0
SMILES
CC1([C@@H](N2[C@H](S1=O)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C
InChIKey
AZIUCAWYSMPKQK-HVHNRQALSA-N
InChI
InChI=1S/C21H21NO4S/c1-21(2)19(22-16(23)13-17(22)27(21)25)20(24)26-18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17-19H,13H2,1-2H3/t17-,19+,27?/m1/s1

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Names and synonyms

1 names
  • (2S,5R)-Benzhydryl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide

Work with Benzhydryl 6,6-dihydropenicillic acid 1-oxide[tazobactam intermediate]

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tazobactam diphenylmethyl ester89789-07-147 % similar Cyclandelate456-59-732 % similar 1-[4-(Diphenylmethyl)-1-piperazinyl]-3,3-diphenyl-1-propanone41332-24-531 % similar Phenylsuccinic anhydride1131-15-331 % similar Diethyl phenylmalonate83-13-631 % similar Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-γ-phenyl-, (S)-190190-50-230 % similar Methyl alpha-phenylbenzeneacetate3469-00-930 % similar 1-(Diphenylmethyl)azetidin-3-one40320-60-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

S-(9H-Fluoren-9-ylmethyl)-N-[(2-propen-1-yloxy)carbonyl]-L-cysteine182201-77-0 (S)-N-(9-Fluorenylmethyloxycarbonyl)-2,2-dimethyl-thiazolidine-L-4-carboxylic acid873842-06-9

Elsewhere

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