Account BAY 1135626
- Catalog No. :
- ACRYUQ979
- CAS No. :
- 1404071-37-9
- Molecular Formula :
- C55H86N10O11
- Molecular Weight :
- 1063.35
IUPAC Name:(S)-N-((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)-2-((S)-2-((4-(2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl)hydrazineyl)-4-oxobutyl)(methyl)amino)-3-methylbutanamido)-N,3-dimethylbutanamide
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Product Information
| Product Name | BAY 1135626 |
|---|---|
| IUPAC Name | (S)-N-((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)-2-((S)-2-((4-(2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl)hydrazineyl)-4-oxobutyl)(methyl)amino)-3-methylbutanamido)-N,3-dimethylbutanamide |
| Molecular Formula | C55H86N10O11 |
| Molecular Weight | 1063.35 |
| SMILES | CC(C)[C@H](NC([C@@H](N(CCCC(NNC(CCCCCN1C(C=CC1=O)=O)=O)=O)C)C(C)C)=O)C(N([C@@H]([C@@H](C)CC)[C@H](OC)CC(N2[C@H]([C@H](OC)[C@@H](C)C(N[C@@H](CC3=CNC4=C3C=CC=C4)C(N)=O)=O)CCC2)=O)C)=O |
| InChI Key | WKLHCCJTASJGSQ-LYBNSWTHSA-N |
| Synonym | L-Tryptophanamide, N-[4-[2-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]hydrazinyl]-4-oxobutyl]-N-methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-;BAY 1135626 |
| CAS No. | 1404071-37-9 |
Synthetic Route by SureRoute
2. ACRYUQ979 Molecular Building Block Synthetic Route
MC-Alkyl-Hydrazine Modified MMAF
Modified MMAF-C5-COOH
NHS-Modified MMAF