Cas no 42849-30-9 ((2S,3S,2'R)-beta-Methyllanthionine)
42849-30-9 structure
Product Name:(2S,3S,2'R)-beta-Methyllanthionine
CAS No:42849-30-9
MF:C7H14N2O4S
MW:222.262060642242
CID:2057187
PubChem ID:165416933
Update Time:2025-04-21
(2S,3S,2'R)-beta-Methyllanthionine Chemical and Physical Properties
Names and Identifiers
-
- (2S,3S,2'R)-beta-Methyllanthionine
- beta-methyllanthionine 2R,(2S,3R)
- DS-erythro(?)-2-Amino-3-((R)-2-amino-2-carboxy-aethylmercapto)-buttersaeure
- DS-erythro(?)-2-amino-3-((R)-2-amino-2-carboxy-ethylsulfanyl)-butyric acid
- (2S,3R)-2-Amino-3-[[(2R)-2-amino-2-carboxyethyl]thio]butyric acid
- 42849-30-9
-
- Inchi： 1S/C7H14N2O4S/c1-3(5(9)7(12)13)14-2-4(8)6(10)11/h3-5H,2,8-9H2,1H3,(H,10,11)(H,12,13)
- InChI Key： NSGOABPZARPCFM-UHFFFAOYSA-N
- SMILES： CC(C(C(=O)O)N)SCC(C(=O)O)N
Computed Properties
- Exact Mass: 222.067
- Monoisotopic Mass: 222.067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 152A^2
- XLogP3: -5.9
(2S,3S,2'R)-beta-Methyllanthionine Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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