Account N-((S)-1-(((2R,3S)-2-(Aminomethyl)-6-((2-methoxyethoxy)methoxy)-2,3-dihydrobenzofuran-3-yl)(4-bromobenzyl)amino)-1-oxo-3-phenylpropan-2-yl)benzamide
- Catalog No. :
- ACCHWJ785
- CAS No. :
- 1592908-16-1
- Molecular Formula :
- C36H38BrN3O6
- Molecular Weight :
- 688.62
IUPAC Name:N-((S)-1-(((2R,3S)-2-(aminomethyl)-6-((2-methoxyethoxy)methoxy)-2,3-dihydrobenzofuran-3-yl)(4-bromobenzyl)amino)-1-oxo-3-phenylpropan-2-yl)benzamide
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Product Information
| Product Name | N-((S)-1-(((2R,3S)-2-(Aminomethyl)-6-((2-methoxyethoxy)methoxy)-2,3-dihydrobenzofuran-3-yl)(4-bromobenzyl)amino)-1-oxo-3-phenylpropan-2-yl)benzamide |
|---|---|
| IUPAC Name | N-((S)-1-(((2R,3S)-2-(aminomethyl)-6-((2-methoxyethoxy)methoxy)-2,3-dihydrobenzofuran-3-yl)(4-bromobenzyl)amino)-1-oxo-3-phenylpropan-2-yl)benzamide |
| Molecular Formula | C36H38BrN3O6 |
| Molecular Weight | 688.62 |
| SMILES | COCCOCOC1=CC2=C([C@H](N(C([C@@H](NC(C3=CC=CC=C3)=O)CC4=CC=CC=C4)=O)CC5=CC=C(Br)C=C5)[C@@H](CN)O2)C=C1 |
| InChI Key | NUPXNNVRTSEHSR-IGOOQNSHSA-N |
| Synonym | MSN-125;Benzenepropanamide, N-[(2R,3S)-2-(aminomethyl)-2,3-dihydro-6-[(2-methoxyethoxy)methoxy]-3-benzofuranyl]-α-(benzoylamino)-N-[(4-bromophenyl)methyl]-, (αS)-;MSN-125 N-{1(S)-[[2(R)-Aminomethyl-6-(2-methoxy-ethoxymethoxy)-2,3-dihydro-benzofuran-3(S)-yl]-(4-bromo-benzyl)-carbamoyl]-2-phenyl-ethyl}-benzamide;MSN 125,MSN125 |
| CAS No. | 1592908-16-1 |
| PubChem CID | 146014431 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACCHWJ785 Molecular Building Block Synthetic Route
N-((S)-1-((((2R,3S)-3-Amino-6-((2-methoxyethoxy)methoxy)-2,3-dihydrobenzofuran-2-yl)methyl)(4-bromobenzyl)amino)-1-oxo-3-phenylpropan-2-yl)benzamide
Allyl ((S)-3-(3,5-bis((tert-butyldimethylsilyl)oxy)-4-methoxyphenyl)-1-((7S,11R)-5-hydroxy-4-methyl-8-oxo-7,8,10,11-tetrahydro-6H-7,11-epimino[1,3]dioxolo[4',5':5,6]benzo[1,2-d]oxocin-12-yl)-1-oxopropan-2-yl)carbamate
(4-((S)-2-Acetamido-3-(((S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino)-3-oxopropyl)-1,2-phenylene)bis(phosphonic acid)