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 (CAS 1137026-67-5) — formula C38H45N5O7, molecular weight 683.8; category organic chemicals.
| CAS Number | 1137026-67-5 |
|---|---|
| Molecular Formula | C38H45N5O7 |
| Molecular Weight | 683.8 |
| LogP | 5.1 |
| Category | Organic Chemicals |
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 is a carbon-based organic compound with CAS registry number 1137026-67-5 and molecular formula C38H45N5O7 (molecular weight 683.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1137026-67-5
Its molecular formula C38H45N5O7 comprises 38 C, 45 H, 5 N, 7 O atoms.
Also known as: 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 · 5-(((S)-2-((叔丁氧基羰基)氨基)-3-(4-氨基甲酰基-2,6-二甲基苯基)-N-((S)-1-(5-苯基-1H-咪唑-2-基)乙基)丙酰胺基)甲基)-2-甲氧基苯甲酸甲酯
Category: organic chemicals
The CAS registry number of 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 is 1137026-67-5.
Molecular formula C38H45N5O7, molecular weight 683.8.
It is also registered under: 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, 5-(((S)-2-((叔丁氧基羰基)氨基)-3-(4-氨基甲酰基-2,6-二甲基苯基)-N-((S)-1-(5-苯基-1H-咪唑-2-基)乙基)丙酰胺基)甲基)-2-甲氧基苯甲酸甲酯.
Category: Organic Chemicals.
Independent reference data for 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 (CAS 1137026-67-5), compiled from public chemistry databases.
| CAS 号 | 1137026-67-5 |
|---|---|
| PubChem CID | 57978854 |
| 分子式 | C38H45N5O7 |
| IUPAC 名称 | methyl 5-[[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoate |
| UNII（FDA） | C38H45N5O7 |
| Molecular Weight | 683.8 |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 15 |
| Exact Mass | 683.33189879 |
| Monoisotopic Mass | 683.33189879 |
| Topological Polar Surface Area | 166 |
| Heavy Atom Count | 50 |
1137026-67-5; C38H45N5O7; Eluxadoline N-2; MFCD28964020; SCHEMBL12971711; CS-M3241; AKOS037650500; CS-14896; DB-109401; C12857; F790120; Benzoic acid, 5-[[[(2S)-3-[4-(aminocarbonyl)-2,6-dimethylphe...
5-(((S)-2-((叔丁氧基羰基)氨基)-3-(4-氨基甲酰基-2,6-二甲基苯基)-N-((S)-1-(5-苯基-1H-咪唑-2-基)乙基)丙酰胺基)甲基)-2-甲氧基苯甲酸甲酯 · CAS 1137026-67-5 · C38H45N5O7. UNII C38H45N5O7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-(((S)-2-((叔丁氧基羰基)氨基)-3-(4-氨基甲酰基-2,6-二甲基苯基)-N-((S)-1-(5-苯基-1H-咪唑-2-基)乙基)丙酰胺基)甲基)-2-甲氧基苯甲酸甲酯