| SpectraBase Spectrum ID |
2SSmPcAcR2T |
| Name |
3-(4-t-Butoxycarbonylmethyl-5-[4-t-butoxycarbonylmethyl-5-cyano-3-(2-methoxycarbonyl-ethyl)-4,5-dimethyl-4,5-dihydro-3H-pyrrol-2-ylmethylene]pyrrolidin-2-on-3-yl)propanoic acid, methyl ester |
| Comments |
Structure changed after expert review |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H49N3O9 |
| InChI |
InChI=1S/C33H49N3O9/c1-29(2,3)44-26(39)17-31(7)21(13-15-25(38)43-11)28(41)35-23(31)16-22-20(12-14-24(37)42-10)32(8,33(9,19-34)36-22)18-27(40)45-30(4,5)6/h16,20-21H,12-15,17-18H2,1-11H3,(H,35,41)/b23-16- |
| InChIKey |
RMYIIGGIQIKPHQ-KQWNVCNZSA-N |
| Molecular Weight |
631.767 g/mol |
| SMILES |
N1\C(C(C(C1=O)CCC(=O)OC)(CC(=O)OC(C)(C)C)C)=C/C1=NC(C#N)(C)C(CC(OC(C)(C)C)=O)(C1CCC(OC)=O)C |
| SPLASH |
splash10-000x-2111922000-bc097aa0775cb699a7a6 |
| Synonyms |
Methyl 3-((5Z)-4-(2-tert-butoxy-2-oxoethyl)-5-([3-(2-tert-butoxy-2-oxoethyl)-2-cyano-4-(3-methoxy-3-oxopropyl)-2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-yl]methylene)-4-methyl-2-oxopyrrolidinyl)propanoate |
| Wiley ID |
1485375 |
![3-(4-t-Butoxycarbonylmethyl-5-[4-t-butoxycarbonylmethyl-5-cyano-3-(2-methoxycarbonyl-ethyl)-4,5-dimethyl-4,5-dihydro-3H-pyrrol-2-ylmethylene]pyrrolidin-2-on-3-yl)propanoic acid, methyl ester](/api/spectrum/2SSmPcAcR2T/structure.png?h=300&w=458 "3-(4-t-Butoxycarbonylmethyl-5-[4-t-butoxycarbonylmethyl-5-cyano-3-(2-methoxycarbonyl-ethyl)-4,5-dimethyl-4,5-dihydro-3H-pyrrol-2-ylmethylene]pyrrolidin-2-on-3-yl)propanoic acid, methyl ester")
