| SpectraBase Spectrum ID |
G89z8x9pe2R |
| Name |
6-{[2-(p-Chlorophenyl)-N-cyanoacetimidoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, hydroxymethyl ester, pivalate(ester) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.139068854 u |
| Formula |
C23H27ClN4O5S |
| InChI |
InChI=1S/C23H27ClN4O5S/c1-22(2,3)21(31)33-12-32-20(30)17-23(4,5)34-19-16(18(29)28(17)19)27-15(26-11-25)10-13-6-8-14(24)9-7-13/h6-9,16-17,19H,10,12H2,1-5H3,(H,26,27)/t16-,17?,19-/m1/s1 |
| InChIKey |
AGSQDFGYWCKZQP-IRQCGSAXSA-N |
| Molecular Weight |
507.005 g/mol |
| SMILES |
N([C@@]1(C(N2C(C(S[C@]12[H])(C)C)C(OCOC(C(C)(C)C)=O)=O)=O)[H])\C(CC=1C=CC(=CC1)Cl)=N\C#N |
![6-{[2-(p-chlorophenyl)-N-cyanoacetimidoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, hydroxymethyl ester, pivalate(ester)](/api/spectrum/G89z8x9pe2R/structure.png?h=300&w=458 "6-{[2-(p-chlorophenyl)-N-cyanoacetimidoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, hydroxymethyl ester, pivalate(ester)")
