Account 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
- Catalog No. :
- ACDCQO449
- CAS No. :
- 2055896-98-3
- Molecular Formula :
- C54H65Cl2N9O9
- Molecular Weight :
- 1055.07
IUPAC Name: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
![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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| Molecular Formula | C54H65Cl2N9O9 |
| Molecular Weight | 1055.07 |
| SMILES | CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)NC1=CC=C(C[N+](C)(C)CCOC2=CC3=C(C=C2)NC(C(=O)N2C[C@@H](CCl)C4=C2C=C(O)C2=CC=CC=C42)=C3)C=C1.[Cl-] |
| InChI Key | UNCKJRMATSMWHA-QMUBXYOZSA-N |
| Synonym | MC-Val-Cit-PAB-duocarmycin;MC-Val-Cit-PAB-duocarmycin chloride |
| CAS No. | 2055896-98-3 |
