| SpectraBase Spectrum ID |
CcqsPROGmkW |
| Name |
benzhydryl 6.alpha.-(2'-cyanoethyl)penicillanate |
| Alternate Name(s) |
benzhydryl (2S,5R,6S)-6-(2-cyanoethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| CAS Registry Number |
108834-82-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H24N2O3S |
| InChI |
InChI=1S/C24H24N2O3S/c1-24(2)20(26-21(27)18(14-9-15-25)22(26)30-24)23(28)29-19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18-20,22H,9,14H2,1-2H3/t18-,20-,22+/m0/s1 |
| InChIKey |
JWEYREFMCJYKJV-RCZSKKKRSA-N |
| Molecular Weight |
420.527 g/mol |
| SMILES |
[C@@]12(N([C@](C(S2)(C)C)(C(OC(c2ccccc2)c2ccccc2)=O)[H])C([C@@]1(CCC#N)[H])=O)[H] |
| SPLASH |
splash10-014i-0900000000-17376035b0028f69f824 |
| Source of Spectrum |
J-52-3661-9 |
| Wiley ID |
1377995 |
