N-(p-Toluenesulfonyl)-DL-Alanine N-(对甲苯基磺酰氨基)-DL-丙氨酸

CAS 4816-81-3 MFCD00230250

化学结构图

4816-81-3
SMILES: Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1

化学属性

Mol. FormulaC10H13NO4S
Mol. Weight243.28
Melting Point146-148 °C
TSCANo
Boiling Point428.9±55.0 °C at 760 mmHg

别名和识别编码

Chemical NameN-(p-Toluenesulfonyl)-DL-Alanine
CAS Number4816-81-3
Alfabeta NameMETHYLPHENYLSULFONYLAMINOPROPANOICACID 24[]()--{}
MDL NumberMFCD00230250
Synonym 2-(4-Methylbenzenesulfonamido)propanoic acid {LY} 2-(4-Methylbenzenesulfonamido)propanoic acid {} {LY} 2-(4-Methylbenzenesulfonamido)propanoic acid {} {} {LY} 2-(4-Methylbenzenesulfonamido)propanoic acid {} {} {} {LY} 2-(4-Methylbenzenesulfonamido)propanoic acid {} {} {} {} {LY} 2-(4-Methylbenzenesulfonamido)propanoic acid {} {} {} {} {} {LY} 2-(4-Methylbenzenesulfonamido)propanoic acid {} {} {} {} {} {} {LY} 2-(4-Methylbenzenesulfonamido)propanoic acid {} {} {} {} {} {} {} {LY} 2-(4-Methylbenzenesulfonamido)propanoic acid {} {} {} {} {} {} {} {} {LY} 2-(4-Methylbenzenesulfonamido)propanoic acid {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methylbenzenesulfonamido)propanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methylbenzenesulfonamido)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methylbenzenesulfonamido)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methylbenzenesulfonamido)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-M
Chemical Name TranslationN-(对甲苯基磺酰氨基)-DL-丙氨酸
PubChem Substance ID362747
InChIInChI=1S/C10H13NO4S/c1-7-3-5-9(6-4-7)16(14,15)11-8(2)10(12)13/h3-6,8,11H,1-2H3,(H,12,13)
LabNetwork Molecule IDLN00117545
Canonical SMILESCC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)O
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分类

  • {KO} CarboxylicAcids
  • {KO} Sulphonamides

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
4
H-bond Donors
2
LogP
1

系列性分类

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