Account G3-VC-PAB-DMEA-Duocarmycin DM
- Catalog No. :
- ACMILQ544
- CAS No. :
- 2415664-00-3
- Molecular Formula :
- C56H72ClN13O12
- Molecular Weight :
- 1154.72
IUPAC Name:4-((2S,5S)-14-amino-5-isopropyl-4,7,10,13-tetraoxo-2-(3-ureidopropyl)-3,6,9,12-tetraazatetradecanamido)benzyl ((S)-1-(chloromethyl)-3-(5-(2-(dimethylamino)ethoxy)-1H-indole-2-carbonyl)-2,3-dihydro-1H-benzo[e]indol-5-yl) ethane-1,2-diylbis(methylcarbamate)
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Product Information
| Product Name | G3-VC-PAB-DMEA-Duocarmycin DM |
|---|---|
| IUPAC Name | 4-((2S,5S)-14-amino-5-isopropyl-4,7,10,13-tetraoxo-2-(3-ureidopropyl)-3,6,9,12-tetraazatetradecanamido)benzyl ((S)-1-(chloromethyl)-3-(5-(2-(dimethylamino)ethoxy)-1H-indole-2-carbonyl)-2,3-dihydro-1H-benzo[e]indol-5-yl) ethane-1,2-diylbis(methylcarbamate) |
| Molecular Formula | C56H72ClN13O12 |
| Molecular Weight | 1154.72 |
| SMILES | CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCNC(N)=O)C(=O)NC1=CC=C(COC(=O)N(C)CCN(C)C(=O)OC2=CC3=C(C4=CC=CC=C24)[C@H](CCl)CN3C(=O)C2=CC3=CC(OCCN(C)C)=CC=C3N2)C=C1 |
| InChI Key | GUGYAPHPMAJYHQ-MUYWJSLASA-N |
| Synonym | G3-VC-PAB-DMEA-Duocarmycin DM |
| CAS No. | 2415664-00-3 |
Synthetic Route by SureRoute
2. ACMILQ544 Molecular Building Block Synthetic Route
MA-PEG4-VC-PAB-DMEA-duocarmycin DM
MB-VC-MGBA
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