Cas no 656822-46-7 (L-Cysteine, S-[(1S)-1-(2-oxoethyl)butyl]-)
![L-Cysteine, S-[(1S)-1-(2-oxoethyl)butyl]- structure](https://ossimg.kuujia.com/scimg/657000/656822-46-7x500.png)
656822-46-7 structure
Product Name:L-Cysteine, S-[(1S)-1-(2-oxoethyl)butyl]-
CAS No:656822-46-7
MF:C9H17NO3S
MW:219.301181554794
CID:397598
PubChem ID:71375488
Update Time:2025-04-19
L-Cysteine, S-[(1S)-1-(2-oxoethyl)butyl]- Chemical and Physical Properties
Names and Identifiers
-
- L-Cysteine, S-[(1S)-1-(2-oxoethyl)butyl]-
- (2R)-2-amino-3-[(3S)-1-oxohexan-3-yl]sulfanylpropanoic acid
- 656822-46-7
- S-[(3S)-1-Oxohexan-3-yl]-L-cysteine
- DTXSID10798224
-
- Inchi： 1S/C9H17NO3S/c1-2-3-7(4-5-11)14-6-8(10)9(12)13/h5,7-8H,2-4,6,10H2,1H3,(H,12,13)/t7-,8+/m1/s1
- InChI Key： XWLOTUNFIHUAMR-SFYZADRCSA-N
- SMILES： S(C[C@@H](C(=O)O)N)[C@@H](CC=O)CCC
Computed Properties
- Exact Mass: 219.09301
- Monoisotopic Mass: 219.09291458g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 187
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2
- Topological Polar Surface Area: 106?2
Experimental Properties
- PSA: 80.39
L-Cysteine, S-[(1S)-1-(2-oxoethyl)butyl]- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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