| SpectraBase Spectrum ID |
5aALfbQxwxf |
| Name |
1H-Pyrrole-3-propanoic acid, 2-[[4-(2-carboxyethyl)-5-[(1,1-dimethylethoxy)carbonyl]-3-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(phenylmethoxy)carbonyl]-, .alpha.-methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
566.262816184 u |
| Formula |
C31H38N2O8 |
| InChI |
InChI=1S/C31H38N2O8/c1-18-22(12-14-25(34)35)28(30(38)41-31(3,4)5)32-23(18)16-24-21(13-15-26(36)39-6)19(2)27(33-24)29(37)40-17-20-10-8-7-9-11-20/h7-11,32-33H,12-17H2,1-6H3,(H,34,35) |
| InChIKey |
MWZVNGQCROVFGX-UHFFFAOYSA-N |
| Molecular Weight |
566.651 g/mol |
| SMILES |
C=1(NC(CC=2NC(C(OCC3=CC=CC=C3)=O)=C(C2CCC(=O)OC)C)=C(C1CCC(=O)O)C)C(OC(C)(C)C)=O |
![1H-Pyrrole-3-propanoic acid, 2-[[4-(2-carboxyethyl)-5-[(1,1-dimethylethoxy)carbonyl]-3-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(phenylmethoxy)carbonyl]-, .alpha.-methyl ester](/api/spectrum/5aALfbQxwxf/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 2-[[4-(2-carboxyethyl)-5-[(1,1-dimethylethoxy)carbonyl]-3-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(phenylmethoxy)carbonyl]-, .alpha.-methyl ester")
