2-{2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride
Structure Info
- Chemspace ID
- CSSB00020664870 (In-Stock Building Blocks)
- MFCD
- MFCD00940481
- IUPAC Name
- 2-{2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride
- Mol formula
- C27H35ClN2O7
- Mol weight
- 535 Da
- Catalog Number(s)
- ADB85182001, B2212, BS-1007, CSC020664870, EN300-52851660, LP018176, PBMR1771290, SAB-064007, SC-95143
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.5
- Heavy atoms count
- 37
- Rotatable bond count
- 12
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.444
- Polar surface area (Å)
- 114
- Hydrogen bond acceptors count
- 7
- Hydrogen bond donors count
- 2
![Chemical structure of 2-{2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride (C27H35ClN2O7) - CSSB00020664870](/st/structure/200/981391b9549d18733502b7da1165ee4f/Cl.CCOC%2528%253DO%2529C%2528CCC1%253DCC%253DCC%253DC1%2529NC%2528C%2529C%2528%253DO%2529N1CC2%253DCC%2528OC%2529%253DC%2528OC%2529C%253DC2CC1C%2528O%2529%253DO.png "C27H35ClN2O7")
- Zoom the structure
- CSSB00020664870
Items Overall 2 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 1,254.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 1,510.00 |
For a custom pack size or bulk
please drop us a line:Enquire
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Substructure Analogs
![Chemical structure of (3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride - CSSB00020617887](/st/structure/200/0da5c3cc860ee62c2209386d6e802d29/Cl.CCOC%2528%253DO%2529%255BC%2540H%255D%2528CCC1%253DCC%253DCC%253DC1%2529N%255BC%2540%2540H%255D%2528C%2529C%2528%253DO%2529N1CC2%253DCC%2528OC%2529%253DC%2528OC%2529C%253DC2C%255BC%2540H%255D1C%2528O%2529%253DO.png)
Similarity Analogs
![Chemical structure of (3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid - CSSB00000053379](/st/structure/200/d59bf182a233dabd77ec4b0e60917478/CCOC%2528%253DO%2529%255BC%2540H%255D%2528CCC1%253DCC%253DCC%253DC1%2529N%255BC%2540%2540H%255D%2528C%2529C%2528%253DO%2529N1CC2%253DCC%2528OC%2529%253DC%2528OC%2529C%253DC2C%255BC%2540H%255D1C%2528O%2529%253DO.png)
![Chemical structure of (3S)-6,7-dimethoxy-2-[(2S)-2-{[(2R)-1-methoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride - CSSB00102510901](/st/structure/200/8018c2098ebb87f13c8a924f39c3233a/Cl.COC%2528%253DO%2529%255BC%2540%2540H%255D%2528CCC1%253DCC%253DCC%253DC1%2529N%255BC%2540%2540H%255D%2528C%2529C%2528%253DO%2529N1CC2%253DCC%2528OC%2529%253DC%2528OC%2529C%253DC2C%255BC%2540H%255D1C%2528O%2529%253DO.png)
![Chemical structure of 2-{2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride - CSSB00020590731](/st/structure/200/6b209d3f00360feb85074cf5740e0824/Cl.CCOC%2528%253DO%2529C%2528CCC1%253DCC%253DCC%253DC1%2529NC%2528C%2529C%2528%253DO%2529N1CC2%253DCC%253DCC%253DC2CC1C%2528O%2529%253DO.png)
![Chemical structure of (3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride - CSSB00000718130](/st/structure/200/86dd2b8f0736c7210fd314e5590451fc/Cl.CCOC%2528%253DO%2529%255BC%2540H%255D%2528CCC1%253DCC%253DCC%253DC1%2529N%255BC%2540%2540H%255D%2528C%2529C%2528%253DO%2529N1CC2%253DCC%253DCC%253DC2C%255BC%2540H%255D1C%2528O%2529%253DO.png)
![Chemical structure of (3S)-2-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid - CSSB00020664871](/st/structure/200/6dd859b9e557fcb99fb3fadf9bc3a7a0/COC1%253DCC2%253DC%2528CN%2528%255BC%2540%2540H%255D%2528C2%2529C%2528O%2529%253DO%2529C%2528%253DO%2529%255BC%2540H%255D%2528C%2529N%255BC%2540%2540H%255D%2528CCC2%253DCC%253DCC%253DC2%2529C%2528O%2529%253DO%2529C%253DC1OC.png)
![Chemical structure of (3R,6S)-6-[(3S)-2-[(2S)-2-{[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid - CSSB02515446642](/st/structure/200/aca379515a1b557da59394741f5a7864/CCOC%2528%253DO%2529%255BC%2540%2540H%255D%2528CCC1%253DCC%253DCC%253DC1%2529N%255BC%2540%2540H%255D%2528C%2529C%2528%253DO%2529N1CC2%253DCC%2528OC%2529%253DC%2528OC%2529C%253DC2C%255BC%2540H%255D1C%2528%253DO%2529O%255BC%2540%2540H%255D1OC%2528%255BC%2540H%255D%2528O%2529C%2528O%2529C1O%2529C%2528O%2529%253DO.png)
