Account Mc-Val-Cit-PAB-Gefitinib
- Catalog No. :
- ACLFUV501
- CAS No. :
- 2055897-01-1
- Molecular Formula :
- C50H63ClFN10O9+
- Molecular Weight :
- 1002.57
IUPAC Name:4-((3-chloro-4-fluorophenyl)amino)-1-(4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-1-ium
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Product Information
| Product Name | Mc-Val-Cit-PAB-Gefitinib |
|---|---|
| IUPAC Name | 4-((3-chloro-4-fluorophenyl)amino)-1-(4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-1-ium |
| Molecular Formula | C50H63ClFN10O9+ |
| Molecular Weight | 1002.57 |
| SMILES | COC1=C(C=C(C2=C1)C(NC3=CC=C(C(Cl)=C3)F)=NC=[N+]2CC4=CC=C(C=C4)NC([C@H](CCCNC(N)=O)NC([C@H](C(C)C)NC(CCCCCN5C(C=CC5=O)=O)=O)=O)=O)OCCCN6CCOCC6 |
| InChI Key | RMVYGGUTCLDNNA-BFISLCJDSA-O |
| Synonym | L-Ornithinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazolinium-1-yl]methyl]phenyl]-;Mc-Val-Cit-PAB-Gefitinib |
| CAS No. | 2055897-01-1 |
Synthetic Route by SureRoute
2. ACLFUV501 Molecular Building Block Synthetic Route
MC-Sq-Cit-PAB-Gefitinib
(2S,4R)-1-((S)-2-(11-(4-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)piperazin-1-yl)-11-oxoundecanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
(2S,4R)-1-((S)-2-(2-(2-(2-(4-(5-((4-((3-Chloro-4-fluorophenyl)amino)-6-((E)-4-(piperidin-1-yl)but-2-enamido)quinazolin-7-yl)oxy)pentyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)acetamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide