| SpectraBase Spectrum ID |
492QehJUf8t |
| Name |
1H-Pyrrole-3-propanoic acid, 2-carboxy-5-[[5-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-ox oethyl)-, methyl ester |
| CAS Registry Number |
84315-33-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H38N2O12 |
| InChI |
InChI=1S/C29H38N2O12/c1-29(2,3)43-28(38)26-18(13-24(35)42-7)15(8-10-21(32)39-4)19(31-26)14-20-17(12-23(34)41-6)16(9-11-22(33)40-5)25(30-20)27(36)37/h30-31H,8-14H2,1-7H3,(H,36,37) |
| InChIKey |
ZSESRQBZRZZFIH-UHFFFAOYSA-N |
| Molecular Weight |
606.625 g/mol |
| SMILES |
[nH]1c(c(c(c1Cc1c(c(c(C(=O)O)[nH]1)CCC(=O)OC)CC(=O)OC)CCC(=O)OC)CC(=O)OC)C(OC(C)(C)C)=O |
| SPLASH |
splash10-0a4i-0000090000-5b46153cdde66131b3f4 |
| Source of Spectrum |
KC-1982-2422-0 |
| Synonyms |
5'-t-butoxycarbonyl-4,3'-di-(2-methoxycarbonylethyl)-3,4'-bismethoxycarbonylmethoxycarbonylmethyl-2,2'-methylenedipyrrole-5-carboxylic acid
5-{[5-(tert-butoxycarbonyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl}-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid |
| Wiley ID |
1410581 |
![1H-Pyrrole-3-propanoic acid, 2-carboxy-5-[[5-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-ox oethyl)-, methyl ester](/api/spectrum/492QehJUf8t/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 2-carboxy-5-[[5-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-ox oethyl)-, methyl ester")
