AG00I93K

5072-26-4 | Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-

AG00I93K

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CAS Number	5072-26-4
Catalog Number	AG00I93K(AGN-PC-04UC3D)
Chemical Name	Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-
IUPAC Name	2-amino-4-(butylsulfonimidoyl)butanoic acid
InChI	InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)
InChI Key	KJQFBVYMGADDTQ-UHFFFAOYSA-N
MDL Number	MFCD00070309
Molecular Formula	C8H18N2O3S
Molecular Weight	222.3051
NSC Number	381100
SMILES	O=S(CCCC)(CCC(N)C(O)=O)=N
Synonyms	Buthionine Sulfoximine, Sulfoximine, Buthionine, BUTHIONINE SULFOXIMINE, 5072-26-4, DL-Buthionine-[S,R]-sulfoximine, Buthionine sulfoxamine, Buthionine sulphoximine, 2-Amino-4-(butylsulfonimidoyl)butanoic acid, Buthione sulfoximine, Buthionine-S,R-sulfoximine, 2-Amino-4-(S-butylsulfonimidoyl)butanoic acid, Butionine sulfoximine, l-buthionine sulfoximine, D,L-Buthionine-(S,R)-sulfoximine, Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-, DL-Buthionine-sulfoximine, NSC 381100, BRN 2367136, DL-Buthionine-S,R-sulfoximine, CHEBI:28714, DL-Buthionine-(S,R)-sulfoximine, DL-butathionine-(S,R)-sulfoximine, Sulfoximine, S-(3-amino-3-carboxypropyl)-S-butyl-, MFCD00070309, NSC326231, NSC381100, S-butyl-DL-homocysteine (S,R)-sulfoximine, S-Butyl-DL-homocysteine-[S,R]-sulfoximine, 2-amino-4-(S-butylsulfonimidoyl)butyric acid, NSC 326231, C8H18N2O3S, DL-Buthionine (S,R)-sulfoximine, 99%, 71765-30-5, L-Buthionine (SR)-sulfoximine, Buthionine-S,R-sulfoximine, L-, L-Buthionine-(S,R)-sulphoximine, dl-buthionine (s,r)-sulfoximine, BSO, beta-Glutamylcysteine, AC1L2HQW, Lopac0_000231, SCHEMBL62033, BSPBio_002464, SPECTRUM1505108, dl-Buthionine(S,R)-sulfoximine, CHEMBL1256575, CHEMBL1627290, DTXSID6044434, CTK8F8906, OR9025T, KJQFBVYMGADDTQ-UHFFFAOYSA-N, HMS3260P03, BCP24029, BCP27775, KS-000018ET, ZX-AT019574, Tox21_500231, S-(n-butyl)homo cysteine sulfoximine, STL328818, AKOS022106364, API0009406, CCG-204326, DB12870, LP00231, MCULE-8178742509, NSC-381100, NCGC00015148-03, NCGC00015148-04, NCGC00015148-05, NCGC00015148-06, NCGC00015148-07, NCGC00093696-01, NCGC00093696-02, NCGC00093696-03, NCGC00260916-01, LS-46081, LS-46082, NCI60_002827, HY-106376, CS-0025687, EU-0100231, FT-0624379, ST51012445, 2-Amino-4-(butylsulfonimidoyl);butanoic acid, DL-Buthionine-sulfoximine, >=99.0% (TLC), 2-Amino-4-(butylsulfonimidoyl)butanoic acid #, 2-Amino-4-(S-butylsulfoninidoyl)butanoic acid, 2-Amino-4-(S-butylsulphonimidoyl)butanoic acid, B 2640, C04543, S-(3-Amino-3-carboxypropyl)-S-butylsulphoximine, SR-01000075713, SR-01000075713-1, BRD-A04020513-001-01-9, 2-amino-4-[butyl(imino)oxo-|E6-sulfanyl]butanoic acid, D,L-Buthionine-(S,R)-sulfoximine (Synonyms: Butionine sulfoximine), Sulfoximine, Buthionine, UNII-LW4108Q0BV, D0K8LM, LW4108Q0BV, D-Buthionine-(S,R)-sulfoximine, L-Buthionine-(S,R)-sulfoximine, CID21157, C8-H18-N2-O3-S, (2S)-2-Amino-4-(butylsulfonimidoyl)butanoic acid, S-(3-amino-3-carboxypropyl)-S-butylsulfoximine, D019328, 83730-53-4, (S)-2-Amino-4-((R)-butylsulfonimidoyl)butanoic acid, Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-, (2S)-, 113158-69-3,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.104g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	222.303g/mol
Monoisotopic Mass	222.104g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number