Cas no 82637-03-4 (Butanoic acid, 3-(acetylamino)-4-oxo-4-[(2-sulfoethyl)amino]-, (S)-)
![Butanoic acid, 3-(acetylamino)-4-oxo-4-[(2-sulfoethyl)amino]-, (S)- structure](https://ossimg.kuujia.com/scimg/83000/82637-03-4x500.png)
82637-03-4 structure
Product Name:Butanoic acid, 3-(acetylamino)-4-oxo-4-[(2-sulfoethyl)amino]-, (S)-
CAS No:82637-03-4
MF:C8H14N2O7S
MW:282.270961284637
CID:687323
PubChem ID:13631007
Update Time:2025-04-19
Butanoic acid, 3-(acetylamino)-4-oxo-4-[(2-sulfoethyl)amino]-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 3-(acetylamino)-4-oxo-4-[(2-sulfoethyl)amino]-, (S)-
- (3S)-3-acetamido-4-oxo-4-(2-sulfoethylamino)butanoic acid
- N-acetylaspartyltaurine
- 82637-03-4
- SCHEMBL8748375
- DTXSID70545458
- N~2~-Acetyl-N-(2-sulfoethyl)-L-alpha-asparagine
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- Inchi： 1S/C8H14N2O7S/c1-5(11)10-6(4-7(12)13)8(14)9-2-3-18(15,16)17/h6H,2-4H2,1H3,(H,9,14)(H,10,11)(H,12,13)(H,15,16,17)/t6-/m0/s1
- InChI Key： IXNJXZCMVAGLGU-LURJTMIESA-N
- SMILES： S(CCNC([C@H](CC(=O)O)NC(C)=O)=O)(=O)(=O)O
Computed Properties
- Exact Mass: 282.05217196g/mol
- Monoisotopic Mass: 282.05217196g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 425
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.7
- Topological Polar Surface Area: 158?2
Butanoic acid, 3-(acetylamino)-4-oxo-4-[(2-sulfoethyl)amino]-, (S)- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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