Account MB-VC-MGBA
- Catalog No. :
- ACFKVZ263
- CAS No. :
- 932744-62-2
- Molecular Formula :
- C56H65ClN12O10
- Molecular Weight :
- 1101.66
IUPAC Name:(S)-1-(chloromethyl)-3-(5-(4-((S)-2-((S)-2-((2-(4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanamido)ethyl)amino)-3-methylbutanamido)-5-ureidopentanamido)benzamido)-1H-indole-2-carbonyl)-2,3-dihydro-1H-benzo[e]indol-5-yl 4-methylpiperazine-1-carboxylate
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Product Information
| Product Name | MB-VC-MGBA |
|---|---|
| IUPAC Name | (S)-1-(chloromethyl)-3-(5-(4-((S)-2-((S)-2-((2-(4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanamido)ethyl)amino)-3-methylbutanamido)-5-ureidopentanamido)benzamido)-1H-indole-2-carbonyl)-2,3-dihydro-1H-benzo[e]indol-5-yl 4-methylpiperazine-1-carboxylate |
| Molecular Formula | C56H65ClN12O10 |
| Molecular Weight | 1101.66 |
| SMILES | ClC[C@H]1C2=C(C=C(C3=CC=CC=C32)OC(N4CCN(CC4)C)=O)N(C1)C(C5=CC6=CC(NC(C7=CC=C(C=C7)NC([C@H](CCCNC(N)=O)NC([C@H](C(C)C)NCCNC(CCCN8C(C=CC8=O)=O)=O)=O)=O)=O)=CC=C6N5)=O |
| InChI Key | LWUVZRWVARAEMO-MUYWJSLASA-N |
| Synonym | L-Ornithinamide, N-[2-[[4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxobutyl]amino]ethyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[2-[[(1S)-1-(chloromethyl)-1,2-dihydro-5-[[(4-methyl-1-piperazinyl)carbonyl]oxy]-3H-benz[e]indol-3-yl]carbonyl]-1H-indol-5-yl]amino]carbonyl]phenyl]-;MB-VC-MGBA |
| CAS No. | 932744-62-2 |
Synthetic Route by SureRoute
2. ACFKVZ263 Molecular Building Block Synthetic Route
G3-VC-PAB-DMEA-Duocarmycin DM
MA-PEG4-VC-PAB-DMEA-duocarmycin DM
2-((2-((S)-1-(chloromethyl)-5-hydroxy-2,3-dihydro-1H-benzo[e]indole-3-carbonyl)-1H-indol-5-yl)oxy)-N-(4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)-N,N-dimethylethan-1-aminium chloride