(2S)-2-[(3S,5aS,9aS,10aS)-3-methyl-1,4-dioxo-dodecahydropyrazino[1,2-a]indol-2-yl]pentanoic acid
Structure Info
- Chemspace ID
- CSSB06633789272 (In-Stock Building Blocks)
- CAS
- 129970-99-6
- MFCD
- MFCD29472419
- IUPAC Name
- (2S)-2-[(3S,5aS,9aS,10aS)-3-methyl-1,4-dioxo-dodecahydropyrazino[1,2-a]indol-2-yl]pentanoic acid
- Mol formula
- C17H26N2O4
- Mol weight
- 322 Da
- Catalog Number(s)
- AA009EBB, AD269462, AE38355, AG009EE3, AGN-PC-0PJ3CA, APS129970996, HY-Z7054R, JH113080, LN01288648, OR1174978, P287570, ST009FUV, TX009FJR, Y3104905
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.72
- Heavy atoms count
- 23
- Rotatable bond count
- 4
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.82352941176471
- Polar surface area (Å)
- 78
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
![Chemical structure of (2S)-2-[(3S,5aS,9aS,10aS)-3-methyl-1,4-dioxo-dodecahydropyrazino[1,2-a]indol-2-yl]pentanoic acid (C17H26N2O4) - CSSB06633789272](/st/structure/200/ee95eebdf54bdf42296fda6df91a1476/CCC%255BC%2540H%255D%2528N1%255BC%2540%2540H%255D%2528C%2529C%2528%253DO%2529N2%255BC%2540H%255D3CCCC%255BC%2540H%255D3C%255BC%2540H%255D2C1%253DO%2529C%2528O%2529%253DO.png "C17H26N2O4")
- Zoom the structure
- CSSB06633789272
Items Overall 6 items from 4 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Angene International Limited | 10 days | China To: | 95 | 10 mg | 190.80 | |
| Angene International Limited | 10 days | China To: | 95 | 25 mg | 324.90 | |
Description: (S)-2-((3S,5AS,9aS,10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl)pentanoic acid; CAS: 129970-99-6 | ||||||
| A2B Chem | 12 days | United States To: | 90 | 20 mg | 1,489.25 | |
Description: (S)-2-((3S,5AS,9aS,10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl)pentanoic acid; CAS: 129970-99-6 | ||||||
| eNovation CN | 20 days | China To: | 95 | 10 mg | 304.75 | |
| eNovation CN | 20 days | China To: | 95 | 25 mg | 448.50 | |
Description: (S)-2-((3S,5AS,9aS,10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl)pentanoic acid; CAS: 129970-99-6 | ||||||
| 10X CHEM | TBD | United States To: | 90 | 20 mg | 1,223.20 | |
Description: (S)-2-((3S,5AS,9aS,10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl)pentanoic acid; CAS: 129970-99-6 | ||||||
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Substructure Analogs
![Chemical structure of ethyl (2S)-2-[(3S,5aS,9aS,10aS)-3-methyl-1,4-dioxo-dodecahydropyrazino[1,2-a]indol-2-yl]pentanoate - CSSB00020665315](/st/structure/200/353587b5048e03ef8c478b264284c2fe/CCC%255BC%2540H%255D%2528N1%255BC%2540%2540H%255D%2528C%2529C%2528%253DO%2529N2%255BC%2540H%255D3CCCC%255BC%2540H%255D3C%255BC%2540H%255D2C1%253DO%2529C%2528%253DO%2529OCC.png)
Similarity Analogs
![Chemical structure of (2S)-2-[(3S,5aS,9aS,10aR)-3-methyl-1,4-dioxo-dodecahydropyrazino[1,2-a]indol-2-yl]pentanoic acid - CSSB06633789273](/st/structure/200/40e10c2f20e47f8135ea0d8270c003de/CCC%255BC%2540H%255D%2528N1%255BC%2540%2540H%255D%2528C%2529C%2528%253DO%2529N2%255BC%2540H%255D3CCCC%255BC%2540H%255D3C%255BC%2540%2540H%255D2C1%253DO%2529C%2528O%2529%253DO.png)
![Chemical structure of (2S,3aS,7aS)-1-[(2S)-2-[3-cyclohexyl-2-(cyclohexylimino)-4-oxo-5-propylimidazolidin-1-yl]propanoyl]-octahydro-1H-indole-2-carboxylic acid - CSSB20963195552](/st/structure/200/6b29c3329baf9520a62bb11bb280b4e5/CCCC1N%2528%255BC%2540%2540H%255D%2528C%2529C%2528%253DO%2529N2%255BC%2540H%255D3CCCC%255BC%2540H%255D3C%255BC%2540H%255D2C%2528O%2529%253DO%2529C%2528%253DNC2CCCCC2%2529N%2528C2CCCCC2%2529C1%253DO.png)
![Chemical structure of (2S)-2-[(2S,6S,8S,11S)-11-methyl-9,12-dioxo-1,10-diazatricyclo[6.4.0.0²,⁶]dodecan-10-yl]-4-phenylbutanoic acid - CSSB00102646455](/st/structure/200/27c2a4604941be2e309db096413f333d/C%255BC%2540%2540H%255D1N%2528%255BC%2540%2540H%255D%2528CCC2%253DCC%253DCC%253DC2%2529C%2528O%2529%253DO%2529C%2528%253DO%2529%255BC%2540%2540H%255D2C%255BC%2540%2540H%255D3CCC%255BC%2540%2540H%255D3N2C1%253DO.png)
![Chemical structure of (2S,3aS,7aS)-1-[(2S)-2-{[(1S)-1-carboxybutyl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid - CSSB00015189792](/st/structure/200/fa1ecc92fe2991597ed084ea1dfdd269/CCC%255BC%2540H%255D%2528N%255BC%2540%2540H%255D%2528C%2529C%2528%253DO%2529N1%255BC%2540H%255D2CCCC%255BC%2540H%255D2C%255BC%2540H%255D1C%2528O%2529%253DO%2529C%2528O%2529%253DO.png)
![Chemical structure of (2S,3aS,7aS)-1-[(2S)-2-aminopropanoyl]-octahydro-1H-indole-2-carboxylic acid - CSSB00997942751](/st/structure/200/e77d9e7a7ab1e15722e3cbeab9a53dd6/C%255BC%2540H%255D%2528N%2529C%2528%253DO%2529N1%255BC%2540H%255D2CCCC%255BC%2540H%255D2C%255BC%2540H%255D1C%2528O%2529%253DO.png)
![Chemical structure of 1-{2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoyl}-octahydro-1H-indole-2-carboxylic acid - CSSB00102580493](/st/structure/200/1ffc4e873bbd6b97a65fa4aee9c95715/CCCC%2528NC%2528C%2529C%2528%253DO%2529N1C2CCCCC2CC1C%2528O%2529%253DO%2529C%2528%253DO%2529OCC.png)
