AG00IBFR

65-82-7 | (2S)-2-acetamido-4-(methylsulfanyl)butanoic acid

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CAS Number	65-82-7
Catalog Number	AG00IBFR(AGN-PC-0WAEF9)
Chemical Name	(2S)-2-acetamido-4-(methylsulfanyl)butanoic acid
EC Number	200-617-7
IUPAC Name	(2S)-2-acetamido-4-methylsulfanylbutanoic acid
InChI	InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChI Key	XUYPXLNMDZIRQH-LURJTMIESA-N
MDL Number	MFCD00064441
Molecular Formula	C7H13NO3S
Molecular Weight	191.2480
SMILES	CSCC[C@@H](C(O)=O)NC(C)=O
Synonyms	Hepsan, N-Ac-L-methionine, N-acetyl-methionine, N-acetylmethionine, N-acetylmethionine monopotassium salt, N-acetylmethionine monosodium salt, N-acetylmethionine, (D)-isomer, N-acetylmethionine, (DL)-isomer, N-Acetyl-L-methionine, 65-82-7, N-Acetylmethionine, Acetyl-L-methionine, Ac-Met-OH, L-(N-Acetyl)methionine, Acetylmethionine, Methionamine, (S)-2-acetamido-4-(methylthio)butanoic acid, Methionine, N-acetyl-, L-, Thiomedon, L-Methionine, N-acetyl-, AcMet, N-Ac-Met, MFCD00064441, Nalpha-acetyl-L-methionine, Acetylmethionin, XUYPXLNMDZIRQH-LURJTMIESA-N, Methionine, N-acetyl-, L- (8CI), (2S)-2-acetamido-4-methylsulfanylbutanoic acid, (S)-2-Acetylamino-4-methylsulfanyl-butyric acid, Methionin, (2S)-2-acetamido-4-(methylsulfanyl)butanoic acid, J-300194, Q-201442, CCRIS 5537, EINECS 200-617-7, acetyl methionine, NSC 118514, BRN 1725552, 4-04-00-03205 (Beilstein Handbook Reference), N-Acetyl(methyl)homocysteine #, N-acetyl-l-met, N-acetyl methionine, l-N-Acetylmethionine, AC-METHIONINE, AC1Q4HAW, Maybridge1_002609, DivK1c_001361, SCHEMBL109681, AC1L9M45, CHEBI:21557, CTK2F5038, HMS548O13, BIA0702, ZX-AFC001583, ZINC1529501, ANW-35102, CCG-44238, SBB006737, AKOS000302150, CS-W013215, DB01646, MCULE-5012891970, CDS1_000321, AJ-26609, AS-12697, BR-46621, N-Acetyl-L-methionine, >=98.5% (T), SC-09746, AB0012342, AX8034536, ST2413564, TC-066657, A2056, AM20100588, FT-0629838, C02712, M-6413, N-acetyl-S-methylhomocysteine (ACD/Name 4.0), (2S)-2-(acetylamino)-4-methylthiobutanoic acid, 064A441, SR-01000634087-1, UNII-2R86C98KDX component XUYPXLNMDZIRQH-LURJTMIESA-N, UNII-383941IGXN component XUYPXLNMDZIRQH-LURJTMIESA-N, UNII-3L4WX7B1EI component XUYPXLNMDZIRQH-LURJTMIESA-N, UNII-470AD5VY1X component XUYPXLNMDZIRQH-LURJTMIESA-N, UNII-9J12WX5B6A component XUYPXLNMDZIRQH-LURJTMIESA-N, UNII-QM00M3504A component XUYPXLNMDZIRQH-LURJTMIESA-N, UNII-RQ6L463N3B component XUYPXLNMDZIRQH-LURJTMIESA-N, UNII-VI4F0K069V component XUYPXLNMDZIRQH-LURJTMIESA-N, E3863D59-A4FA-4911-8B98-90D79E986E03, (2S)-2-(Acetylamino)-4-(methylsulfanyl)butanoic Acid (N-Acetyl-L-Methionine), dl-Acetylmethionine, Acetyl-DL-methionine, N-Acetyl-L-methionin, DL-N-Acetylmethionine, Ac-DL-Met-OH, N-Acetyl-D-methionine, N-Acetyl-DL-methionine, UNII-9J12WX5B6A, DL-Methionine, N-acetyl-, METHIONINE, N-ACETYL-, N- acetyl- L- methionine, N-Acetyl(methyl)homocysteine, C7H13NO3S, Methionine, N-acetyl-, DL-, 9J12WX5B6A, C7-H13-N-O3-S, CID448580, ACN-033417, N-Acetyl-L-methionine, 99% - 10G 10g, A7245, A7255, 1115-47-5, Acetyl-L-methionine; Acetylmethionine; L-(N-Acetyl)methionine; Methionamine, AME,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	191.062g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	191.245g/mol
Monoisotopic Mass	191.062g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	91.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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

Lot Number