(2Z)-but-2-enedioic acid; ethyl (3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Structure Info
- Chemspace ID
- CSSB06741677916 (In-Stock Building Blocks)
- CAS
- 103733-36-4
- MFCD
- MFCD35147277
- IUPAC Name
- (2Z)-but-2-enedioic acid; ethyl (3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
- Mol formula
- C31H38N2O9
- Mol weight
- 583 Da
- Catalog Number(s)
- 103733-36-4, AA008WWW, AE15804, APB103733364, AR008XOO, BBLS06741677916, EN300-45648420, LN04914181, Q670015, ST008YGG, TX008Y5C, bbls06741677916
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.1
- Heavy atoms count
- 42
- Rotatable bond count
- 14
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.387
- Polar surface area (Å)
- 85
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
![Chemical structure of (2Z)-but-2-enedioic acid; ethyl (3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (C31H38N2O9) - CSSB06741677916](/st/structure/200/5d042d290ebe76ac3cfd8c021edb56f2/OC%2528%253DO%2529%255CC%253DC%252FC%2528O%2529%253DO.CCOC%2528%253DO%2529%255BC%2540H%255D%2528CCc1ccccc1%2529N%255BC%2540%2540H%255D%2528C%2529C%2528%253DO%2529N1Cc2ccccc2C%255BC%2540H%255D1C%2528%253DO%2529OCC.png "C31H38N2O9")
- Zoom the structure
- CSSB06741677916
Items Overall 29 items from 6 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 2 days | United States To: | 95 | 50 umol | 73.97 | |
| BB4LS US | 2 days | United States To: | 95 | 100 umol | 101.12 | |
| BB4LS US | 2 days | United States To: | 95 | 200 umol | 152.00 | |
| BB4LS US | 2 days | United States To: | 95 | 300 umol | 179.00 | |
| BB4LS US | 2 days | United States To: | 95 | 500 umol | 218.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 103.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 156.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 222.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 422.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 541.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 50 mg | 103.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 100 mg | 156.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 250 mg | 222.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 500 mg | 422.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 50 umol | 73.97 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 100 umol | 101.12 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 200 umol | 152.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 300 umol | 179.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 500 umol | 218.00 | |
| 1st Scientific CN | 7 days | China To: | 95 | 50 mg | 174.90 | |
| 1st Scientific CN | 7 days | China To: | 95 | 100 mg | 234.30 | |
| 1st Scientific CN | 7 days | China To: | 95 | 250 mg | 310.20 | |
| 1st Scientific CN | 7 days | China To: | 95 | 500 mg | 542.30 | |
| 1st Scientific CN | 7 days | China To: | 95 | 1 g | 679.80 | |
Description: Quinapril Ethyl Ester Maleic Acid Salt; CAS: 103733-36-4 | ||||||
| 1st Scientific LLC | 7 days | United States To: | 95 | 50 mg | 174.90 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 100 mg | 234.30 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 250 mg | 310.20 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 500 mg | 542.30 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 1 g | 679.80 | |
Description: Quinapril Ethyl Ester Maleic Acid Salt; CAS: 103733-36-4 | ||||||
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Substructure Analogs
![Chemical structure of (2Z)-but-2-enedioic acid; tert-butyl (3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate - CSSB02515450281](/st/structure/200/eaeb51bc1fbe27218ebada2174f2afa3/OC%2528%253DO%2529%255CC%253DC%252FC%2528O%2529%253DO.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%2528%253DO%2529OC%2528C%2529%2528C%2529C.png)
Similarity Analogs
![Chemical structure of ethyl (3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate - CSSB00102511366](/st/structure/200/900478ab31b70c5ff7aea61d3b20ed79/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%2528%253DO%2529OCC.png)
![Chemical structure of ethyl 2-{2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylate - CSSB20620702635](/st/structure/200/0ae0cebaa433c279f835ad91865cead2/CCOC%2528%253DO%2529C%2528CCC1%253DCC%253DCC%253DC1%2529NC%2528C%2529C%2528%253DO%2529N1CC2%253DC%2528CC1C%2528%253DO%2529OCC%2529C%253DCC%253DC2.png)
![Chemical structure of ethyl (3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride - CSSB06835407822](/st/structure/200/9413ebe0400d1c6899bedbba6502835a/Cl.CCOC%2528%253DO%2529%255BC%2540H%255D%2528CCC%253D1C%253DCC%253DCC1%2529N%255BC%2540%2540H%255D%2528C%2529C%2528%253DO%2529N2CC%253D3C%253DCC%253DCC3C%255BC%2540H%255D2C%2528%253DO%2529OCC.png)
![Chemical structure of ethyl 2-{2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride - CSSB20620692178](/st/structure/200/77eb14f3d568332eab31bfee0ad80f9a/Cl.CCOC%2528%253DO%2529C%2528CCC1%253DCC%253DCC%253DC1%2529NC%2528C%2529C%2528%253DO%2529N1CC2%253DCC%253DCC%253DC2CC1C%2528%253DO%2529OCC.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)
