AG001RGK

15985-39-4 | Butanoic acid, 2-amino-4-(S-methylsulfonimidoyl)-, (2S)-

AG001RGK

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CAS Number	15985-39-4
Catalog Number	AG001RGK(AGN-PC-0O4K98)
Chemical Name	Butanoic acid, 2-amino-4-(S-methylsulfonimidoyl)-, (2S)-
IUPAC Name	(2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid
InChI	InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1
InChI Key	SXTAYKAGBXMACB-DPVSGNNYSA-N
MDL Number	MFCD00002621
Molecular Formula	C5H12N2O3S
Molecular Weight	180.2254
SMILES	O=C(O)[C@@H](N)CCS(=N)(C)=O
Synonyms	L-Methionine sulfoximine, 15985-39-4, (2S)-2-amino-4-(S-methylsulfonimidoyl)butanoic acid, L-Methionine [R,S]-Sulfoximine, Methionine sulfoximine (L), Butanoic acid, 2-amino-4-(S-methylsulfonimidoyl)-, (2S)-, CHEBI:28490, L-S-(3-Amino-3-carboxypropyl)-S-methylsulfoximine, MFCD00002621, L-Methionine (R,S)-sulfoximine, L-Methionine sulfoximine, 98+%, L-Methionine [R]-Sulfoximine, (2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID, L-Methionine-S,R-sulfoximine, Prestwick_805, L-Methionine-Sulfoximine, AC1Q6THF, Prestwick0_000523, Prestwick1_000523, Prestwick2_000523, Prestwick3_000523, Lopac0_000797, BSPBio_000505, SCHEMBL187872, (2S)-2-Amino-4-(S-methylsufonimidoyl)butanoic acid, SPBio_002426, AC1L3H04, BPBio1_000557, CHEMBL143324, CHEMBL1627202, Butanoic acid, 2-amino-4-(S-methylsufonimidoyl)-, (2S)-, HMS1569J07, HMS2096J07, HMS3262O16, BCP10104, Tox21_500797, ANW-58082, AKOS015892783, CCG-204881, FCH3468694, LP00797, NCGC00094132-01, NCGC00094132-02, NCGC00094132-03, NCGC00094132-04, NCGC00261482-01, AS-40141, AX8136583, TC-146827, AB00513853, EU-0100797, FT-0084494, FT-0084789, AZ0001-0559, C03510, M 5379, Z-5302, (2S)-2-amino-4-(methylsulfonimidoyl)butyric acid, SR-01000075995, (2S)-2-azanyl-4-(methylsulfonimidoyl)butanoic acid, I04-1120, J-009648, SR-01000075995-1, (2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid, L-Methionine sulfoximine, certified reference material, TraceCERT(R), L-Methionine sulfoximine, PharmaGrade, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production., Methionine analog, UNII-M9P6YZ6JX9, METHIONINE SULFOXIMINE, M9P6YZ6JX9, KST-1A2810, CID89034, C5-H12-N2-O3-S, AR-1A3230, L-Methionine sulfoximine, 99% - 1G 1g, 21752-31-8, 22258-69-1, 1982-67-8,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	180.057g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	180.222g/mol
Monoisotopic Mass	180.057g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1.8

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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