| SpectraBase Spectrum ID |
3AV7qrLLafL |
| Name |
6-[2-[2-(2-HYDROXYETHYLCARBAMOYL)-3,6-DIOXOCYCLOHEXA-1,4-DIENYLAMINO]-2-(4-HYDROXYPHENYL)-ACETYLAMINO]-PENICILLANIC-ACID |
| Compound Number |
3A |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C25H26N4O9S |
| InChI |
InChI=1S/C25H26N4O9S/c1-25(2)19(24(37)38)29-21(34)18(22(29)39-25)28-20(33)16(11-3-5-12(6-4-11)26-9-10-30)27-17-14(32)8-7-13(31)15(17)23(35)36/h3-8,16,18-19,22,26-27,30H,9-10H2,1-2H3,(H,28,33)(H,35,36)(H,37,38)/t16-,18-,19+,22-/m1/s1 |
| InChIKey |
JFSQVBRKQFZLDH-NSAZKJPHSA-N |
| Literature Reference Author |
A.MIKOLASCH,T.H.J.NIEDERMEYER,M.LALK,S.WITT,S.SEEFELDT,E.HAM
MER,F.SCHAUER,M.GESE |
| Literature Reference Citation |
CHEM.PHARM.BULL.,54,632(2006) |
| Literature Reference DOI |
10.1248/cpb.54.632 |
| Molecular Weight |
558.563 g/mol |
| Sample ID |
36916 |
| Solvent |
ACETONE-D6+10%_D2O |
![6-[2-[2-(2-HYDROXYETHYLCARBAMOYL)-3,6-DIOXOCYCLOHEXA-1,4-DIENYLAMINO]-2-(4-HYDROXYPHENYL)-ACETYLAMINO]-PENICILLANIC-ACID](/api/spectrum/3AV7qrLLafL/structure.png?h=300&w=458 "6-[2-[2-(2-HYDROXYETHYLCARBAMOYL)-3,6-DIOXOCYCLOHEXA-1,4-DIENYLAMINO]-2-(4-HYDROXYPHENYL)-ACETYLAMINO]-PENICILLANIC-ACID")
