25138-66-3 (甘氨酸,L-g-谷氨酰-S-(2-羟基-1-氧代丙基)-L-半胱氨酸-,Glycine, L-g-glutamyl-S-(2-hydroxy-1-oxopropyl)-L-cysteinyl-)

CAS号:
25138-66-3
中文名称:
甘氨酸,L-g-谷氨酰-S-(2-羟基-1-氧代丙基)-L-半胱氨酸-
英文名称:
Glycine, L-g-glutamyl-S-(2-hydroxy-1-oxopropyl)-L-cysteinyl-
分子式:
C13H21N3O8S
分子量:
379.386142492294

甘氨酸,L-g-谷氨酰-S-(2-羟基-1-氧代丙基)-L-半胱氨酸-(25138-66-3)名称与标识符

名称

英文别名:
Glycine, L-g-glutamyl-S-(2-hydroxy-1-oxopropyl)-L-cysteinyl-;2-Amino-5-({1-[(carboxymethyl)amino]-3-(lactoylsulfanyl)-1-oxo-2-propanyl}amino)-5-oxopentanoic acid;2-Amino-5-({1-[(carboxymethyl)amino]-3-(lactoylsulfanyl)-1-oxo-2-propanyl}amino)-5-oxopentans?ure;Acide 2-amino-5-({1-[(carboxyméthyl)amino]-3-(lactoylsulfanyl)-1-oxo-2-propanyl}amino)-5-oxopentano?que;gamma-Glutamyl-S-lactoylcysteinylglycine;glycine, gamma-glutamyl-S-(2-hydroxy-1-oxopropyl)cysteinyl-;S-Lactoylglutathione;glycine, L-gamma-glutamyl-S-(2-hydroxy-1-oxopropyl)-L-cysteinyl-;Glycine, L-gamma-glutamyl-S-(2-hydroxy-1-oxopropyl)-L-cysteinyl- (9CI);VDYDCVUWILIYQF-ALKRTJFJSA-N;Q15304712;S-Lactylglutathione;Glycine, L-.gamma.-glutamyl-S-(2-hydroxy-1-oxopropyl)-L-cysteinyl-;Glutathione, S-lactate (6CI,7CI);S-lactoyl-glutathione;SCHEMBL940517;Glutathione, S-lactate;25138-66-3;N-(N-L-gamma-Glutamyl-S-(2-hydroxy-1-oxopropyl)-L-cystinyl)glycine;N5-((2R)-1-((Carboxymethyl)amino)-3-((2-hydroxypropanoyl)thio)-1-oxopropan-2-yl)-L-glutamine;Glycine, N-(N-L-gamma-glutamyl-S-(2-hydroxy-1-oxopropyl)-L-cysteinyl)-;Q63395383;C03451;CHEBI:15694;n-(n-l-gamma-glutamyl-S-(2-hydroxy-1-oxopropyl)-l-cysteinyl)-glycine;D-lactoylglutathione;S-delta-lactoyl-glutathione;(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-{[(2R)-2-hydroxypropanoyl]sulfanyl}ethyl]carbamoyl}butanoic acid;SCHEMBL850658;S-lactate glutathione;S-D-lactoyl-glutathione;S-delta-lactoylglutathione;delta-lactoylglutathione;S-D-lactoylglutathione;(R)-S-lactoylglutathione;S-[(2R)-2-hydroxypropanoyl]-gamma-L-glutamyl-L-cysteinylglycine;S-lactateglutathione;(R)-S-lactoylglutathionate anion;

标识符

InChIKey:
VDYDCVUWILIYQF-ALKRTJFJSA-N
Inchi:
1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6?,7-,8-/m0/s1
SMILES:
S(C(C(C)O)=O)C[C@@H](C(NCC(=O)O)=O)NC(CC[C@@H](C(=O)O)N)=O

甘氨酸,L-g-谷氨酰-S-(2-羟基-1-氧代丙基)-L-半胱氨酸-(25138-66-3)物化性质

实验特性

  • PSA : 196.12
  • 折射率 : 1.579
  • 沸点 : 806.1°Cat760mmHg
  • 闪点 : 441.3°C
  • 密度 : 1.472

计算特性

  • 精确分子量 : 379.10503
  • 氢键供体数量 : 6
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 12
  • 同位素质量 : 379.104935
  • 重原子数量 : 25
  • 复杂度 : 527
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -4.6
  • 拓扑分子极性表面积 : 221

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