Account (S)-N-(5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentyl)-N-(1-((4-(hydroxymethyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)cyclobutane-1,1-dicarboxamide
- Catalog No. :
- ACIBOX149
- CAS No. :
- 1799663-03-8
- Molecular Formula :
- C28H38N6O7
- Molecular Weight :
- 570.65
IUPAC Name:(S)-N-(5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentyl)-N-(1-((4-(hydroxymethyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)cyclobutane-1,1-dicarboxamide
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Product Information
| Product Name | (S)-N-(5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentyl)-N-(1-((4-(hydroxymethyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)cyclobutane-1,1-dicarboxamide |
|---|---|
| IUPAC Name | (S)-N-(5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentyl)-N-(1-((4-(hydroxymethyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)cyclobutane-1,1-dicarboxamide |
| MDL No. | 0 |
| Molecular Formula | C28H38N6O7 |
| Molecular Weight | 570.65 |
| SMILES | NC(=O)NCCC[C@H](NC(=O)C1(C(=O)NCCCCCN2C(=O)C=CC2=O)CCC1)C(=O)NC1=CC=C(CO)C=C1 |
| InChI Key | HLAKJCQSHGCDPL-NRFANRHFSA-N |
| Synonym | Mal-cyclobutane-1,1-dicarboxamide-Cit-PAB;1,1-Cyclobutanedicarboxamide, N-[(1S)-4-[(aminocarbonyl)amino]-1-[[[4-(hydroxymethyl)phenyl]amino]carbonyl]butyl]-N'-[5-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)pentyl]-;Mal-Amide-cBut-Cit-PAB;(S)-N-[5-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentyl]-N-[1-[[4-(hydroxymethyl)phenyl]amino]-1-oxo-5-ureido-2-pentyl]cyclobutane-1,1-dicarboxamide;cBu-Cit-OH |
| CAS No. | 1799663-03-8 |
Synthetic Route by SureRoute
2. ACIBOX149 Molecular Building Block Synthetic Route
6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-((S)-1-(((S)-1-((4-(hydroxymethyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)hexanamide
4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl formate
4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl hydrogen carbonate