AG00I649

3226-65-1 | Butanoic acid, 2-amino-4-(methylsulfinyl)-, (2S)-

AG00I649

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CAS Number	3226-65-1
Catalog Number	AG00I649(AGN-PC-0O8WLK)
Chemical Name	Butanoic acid, 2-amino-4-(methylsulfinyl)-, (2S)-
EC Number	221-758-0
IUPAC Name	(2S)-2-amino-4-methylsulfinylbutanoic acid
InChI	InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1
InChI Key	QEFRNWWLZKMPFJ-YGVKFDHGSA-N
MDL Number	MFCD00063093
Molecular Formula	C5H11NO3S
Molecular Weight	165.2107
SMILES	O=C(O)[C@@H](N)CCS(C)=O
Synonyms	methionine sulfoxide, methionine sulfoxide, (+-)-isomer, methionine sulfoxide, (2R)-isomer, methionine sulfoxide, (2S)-isomer, methionine sulfoxide, (R-(R*,S*))-isomer, methionine sulfoxide, (S-(R*,S*))-isomer, methionine sulfoxide, 35S-labeled, (+-)-isomer, L-methionine sulfoxide, 3226-65-1, H-Met(O)-OH, Methionine S-oxide, methionine sulfoxide, (2S)-2-amino-4-(methylsulfinyl)butanoic acid, L-methionine S-oxide, (2S)-2-amino-4-methylsulfinylbutanoic acid, CHEBI:17016, MFCD00063093, L-2-Amino-4-(methylsulfinyl)butanoic acid, l-methionine-dl-sulfoxide, (2S)-2-azanyl-4-methylsulfinyl-butanoic acid, Butanoic acid, 2-amino-4-(methylsulfinyl)-, (2S)-, methioninesulfoxide, methionie sulfoxide, 4241-59-2, EINECS 221-758-0, methionine sulphoxide, L-methionine-sulfoxide, Met(O), L-Methionine, S-oxide, AC1L4KZG, (Methionine-S-oxide)anion, SCHEMBL38626, CHEMBL445753, CTK4G8437, KS-00000JUD, DTXSID20186012, QEFRNWWLZKMPFJ-YGVKFDHGSA-N, Butanoic acid, 2-amino-4-(methylsulfinyl)-, (2S)-, homopolymer, 7336AH, BDBM50366922, AKOS006274879, VC30985, 86631-49-4, (2S)-2-amino-4-methylsulfinyl-butyric acid, FT-0627958, ST24034071, J3.515.843J, C02989, K-7523, A821216, UNII-XN1XVI4B2C component QEFRNWWLZKMPFJ-YGVKFDHGSA-N, (2S)-2-Amino-4-[(RS)-methylsulfinyl]butanoic Acid (L-Methionine Sulfoxide), UNII-XN1XVI4B2C, XN1XVI4B2C, C5H11NO3S, C5-H11-N-O3-S, (C5-H11-N-O3-S)x-, CID158980, L-2-Amino-4-(methylsulfonyl)butanoic acid, M-3228, M-3230,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	165.046g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.207g/mol
Monoisotopic Mass	165.046g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	99.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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