uspto-grants-2000_03 · 10.6084/m9.figshare.5104873.v1 · US06034306
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IDENTITY
结构与身份
- 标准SMILES
- CS(=N)(=O)CCC(N)C(=O)O
- InChIKey
- SXTAYKAGBXMACB-UHFFFAOYSA-N
- 分子式
- C5H12N2O3S
- 平均分子量
- 180.23 g/mol
- 单同位素质量
- 180.05686342
COMPUTED
结构计算性质
- XLogP
- -1.8
- 极性表面积
- 113 Ų
- 氢键供体
- 3
- 氢键受体
- 5
- 可旋转键
- 4
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 244
PROPERTIES
实验与物化性质
Collision Cross Section
136.9 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；138.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；136.2 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
PHARMACOLOGY
药理信息
Cellular Locations
Cytoplasm；Extracellular
ALIASES
名称与别名
1982-67-8DL-Methionine-DL-sulfoximineMFCD000630942-amino-4-[imino(methyl)oxo-lambda6-sulfanyl]butanoic acidMethionine-DL-sulfoximine, DL-(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDDL-Methionine DL-sulfoximineDL-METHIONINE SULFOXIMINEL-Methionine-RS-sulfoximineDL-(3-Amino-3-carboxypropyl) methyl sulfoximineSCHEMBL187873L -S-(3-Amino-3-carboxypropyl)-S-methylsulfoximineorb1739464CHEMBL1615096Sulfoximine, S-(3-amino-3-carboxypropyl)-S-methyl-, DL-NSC49169CCG-42326NSC-49169SBB049569STK501262
REACTIONS
参与反应