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

C21H21NO4SCAS 87579-78-0383.46 g/mol

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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.

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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

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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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