Molecular Identity
2-Amino-4-(S-butylsulfonimidoyl)butanoic acid
2-amino-4-(butylsulfonimidoyl)butanoic acid
PubChem CID: 21157
S-butyl-DL-homocysteine (S,R)-sulfoximine is a sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl. It has a role as a ferroptosis inducer and an EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor. It contains a D-buthionine-(S,R)-sulfoximine and a L-buthionine-(S,R)-sulfoximine.
2D Structure
Properties
C8H18N2O3S
Molecular Formula
222.31
Molecular Weight
g/mol
222.1038
Exact Mass
Da
-0.6
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
284
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
2-Amino-4-(S-butylsulfonimidoyl)butanoic acidCHEBI:176510RefChem:10621805072-26-4BUTHIONINE SULFOXIMINEButionine sulfoximine2-Amino-4-(butylsulfonimidoyl)butanoic acidButhionine sulfoxamineD,L-Buthionine-(S,R)-sulfoximineButanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-Buthionine sulphoximineButhionine-S,R-sulfoximinedl-buthionine (s,r)-sulfoximineDL-Buthionine-sulfoximineNSC-381100
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 2-Amino-4-(S-butylsulfonimidoyl)butanoic acid
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