Account Methyl 5-(((S)-2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)-N-((S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl)propanamido)methyl)-2-methoxybenzoate
- Catalog No. :
- ACCZBY826
- CAS No. :
- 1137026-67-5
- Molecular Formula :
- C38H45N5O7
- Molecular Weight :
- 683.81
IUPAC Name:methyl 5-(((S)-2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)-N-((S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl)propanamido)methyl)-2-methoxybenzoate
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Product Information
| Product Name | Methyl 5-(((S)-2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)-N-((S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl)propanamido)methyl)-2-methoxybenzoate |
|---|---|
| IUPAC Name | methyl 5-(((S)-2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)-N-((S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl)propanamido)methyl)-2-methoxybenzoate |
| Molecular Formula | C38H45N5O7 |
| Molecular Weight | 683.81 |
| SMILES | O=C(OC)C1=CC(CN([C@H](C2=NC(C3=CC=CC=C3)=CN2)C)C([C@@H](NC(OC(C)(C)C)=O)CC4=C(C)C=C(C(N)=O)C=C4C)=O)=CC=C1OC |
| InChI Key | GWDHGKMDWNQPCN-NGQVCNFZSA-N |
| Synonym | Benzoic acid, 5-[[[(2S)-3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropyl][(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxy-, methyl ester;Eluxadoline N-2;methyl 5-(((S)-2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)-N-((S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl)propanamido)methyl)-2-methoxybenzoate;Methyl 5-(((S)-2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)-N-((S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl)propanamido)methyl)-2-methoxybenzoate;Benzoic acid, 5-[[[(2S)-3-[4-(aminocarbonyl)-2,6-dimethylphe... |
| CAS No. | 1137026-67-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACCZBY826 Molecular Building Block Synthetic Route
5-(((S)-2-((tert-Butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)-N-((S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl)propanamido)methyl)-2-methoxybenzoic acid
Methyl ((S)-1-((S)-2-(6-((1R,4S)-8-(4-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)phenyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
Methyl ((S)-1-((S)-2-(6-((1R,4S)-8-(4-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)phenyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate bis(phosphate)