| SpectraBase Spectrum ID |
24ImCtmkdM2 |
| Name |
(2R,4Z)-9-tert-Butoxycarbonyl-5-methylsulfonylamidomethyl-8-(2-methoxycarbonylethyl)-2-methoxycarbonylmethyl-2,7-dimethyl-2,3-dihydrodipyrrin-1(10)-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H37N3O9S |
| InChI |
InChI=1S/C25H37N3O9S/c1-14-15(9-10-18(29)35-6)21(22(31)37-24(2,3)4)28-20(14)16(13-26-38(8,33)34)17-11-25(5,23(32)27-17)12-19(30)36-7/h26,28H,9-13H2,1-8H3,(H,27,32)/b17-16-/t25-/m1/s1 |
| InChIKey |
HVUVSVDCPPDFBO-AQLJSXSMSA-N |
| Molecular Weight |
555.643 g/mol |
| SMILES |
N1C([C@](C\C1=C\(CNS(=O)(=O)C)c1[nH]c(c(c1C)CCC(=O)OC)C(OC(C)(C)C)=O)(CC(=O)OC)C)=O |
| SPLASH |
splash10-052b-0000970000-5f90f7dbf6dcfc911712 |
| Source of Spectrum |
KC-0-2105-35 |
| Synonyms |
tert-butyl 5-{(1Z)-1-[(4R)-4-(2-methoxy-2-oxoethyl)-4-methyl-5-oxopyrrolidinylidene]-2-[(methylsulfonyl)amino]ethyl}-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate |
| Wiley ID |
822960 |
