CAS 160800-57-7 appears in our catalog under these names: Auristatin E, 99+%, Auristatin E/ 98.81% (existing batch purity), Auristatin E, Auristatin E 98%, Auristatin E, 98%, 98%. Offered by: AmBeed, TargetMol, Biosynth, Chemat, MedChemExpress. Available pack sizes: 25mg, 5mg, 10mg, 50mg, 100mg, 250mg, 1g, 250 mg.
(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-1-[(2S)-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]-N,3-dimethylbutanamide (CAS 160800-57-7) is a chemical compound with the molecular formula C40H69N5O7 and a molecular weight of 732.0 g/mol. IUPAC name: (2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-1-[(2S)-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]-N,3-dimethylbutanamide. InChIKey: WOWDZACBATWTAU-FEFUEGSOSA-N.
| Molecular formula | C40H69N5O7 |
|---|---|
| Molecular weight | 732.0 g/mol |
| IUPAC name | (2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-1-[(2S)-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]-N,3-dimethylbutanamide |
| InChIKey | WOWDZACBATWTAU-FEFUEGSOSA-N |
| SMILES | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C |
Computed by PubChem (NCBI)