Account (S)-N-(4-(N-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-2-((S)-2-(Dimethylamino)-3-methylbutanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl)sulfamoyl)phenyl)-2-((S)-1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-14-isopropyl-12-oxo-3,6,9-trioxa-13-azapentadecan-15-amido)-5-ureidopentanamide
- Catalog No. :
- ACLIHI934
- CAS No. :
- 1800462-96-7
- Molecular Formula :
- C61H101N11O17S
- Molecular Weight :
- 1292.61
IUPAC Name:(S)-N-(4-(N-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl)sulfamoyl)phenyl)-2-((S)-1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-14-isopropyl-12-oxo-3,6,9-trioxa-13-azapentadecan-15-amido)-5-ureidopentanamide
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Product Information
| Product Name | (S)-N-(4-(N-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-2-((S)-2-(Dimethylamino)-3-methylbutanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl)sulfamoyl)phenyl)-2-((S)-1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-14-isopropyl-12-oxo-3,6,9-trioxa-13-azapentadecan-15-amido)-5-ureidopentanamide |
|---|---|
| IUPAC Name | (S)-N-(4-(N-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl)sulfamoyl)phenyl)-2-((S)-1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-14-isopropyl-12-oxo-3,6,9-trioxa-13-azapentadecan-15-amido)-5-ureidopentanamide |
| Molecular Formula | C61H101N11O17S |
| Molecular Weight | 1292.61 |
| SMILES | [C@H]([C@H](C(NS(=O)(=O)C1=CC=C(NC([C@@H](NC([C@@H](NC(CCOCCOCCOCCN2C(=O)C=CC2=O)=O)[C@H](C)C)=O)CCCNC(N)=O)=O)C=C1)=O)C)(OC)[C@]3(N(C(C[C@H]([C@@H](N(C([C@@H](NC([C@H](C(C)C)N(C)C)=O)C(C)C)=O)C)[C@H](CC)C)OC)=O)CCC3)[H] |
| InChI Key | MOXNZANUBDNGDP-JZKHMPQFSA-N |
| Synonym | L-Ornithinamide, N-[3-[2-[2-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]-1-oxopropyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[(N,N-dimethyl-L-valyl-L-valyl)methylamino]-3-methoxy-5-methyl-1-oxoheptyl]-2-pyrrolidinyl]-3-methoxy-2-methyl-1-oxopropyl]amino]sulfonyl]phenyl]-;L-Ornithinamide, N-[3-[2-[2-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]-1-oxopropyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[(N,N-dimethyl-L-valyl-L-valyl)methylamino]-3-methoxy-5-methyl-1-oxoheptyl]-2-pyrrolidinyl]-3-methoxy-2-methyl-1-oxopropyl]amino]...;MT-VC-ZD02044 |
| CAS No. | 1800462-96-7 |
Synthetic Route by SureRoute
2. ACLIHI934 Molecular Building Block Synthetic Route
Aminobenzenesulfonic auristatin E
4-((29S,32S)-1-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-29-isopropyl-27,30-dioxo-32-(3-ureidopropyl)-3,6,9,12,15,18,21,24-octaoxa-28,31-diazatritriacontan-33-amido)benzyl ((2S)-1-(((2S)-1-(((4R,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
MAL-di-EG-Val-Cit-PAB-MMAE