171869-93-5 (α-MSH (human, mouse, rat, porcine, bovine, ovine) (trifluoroacetate salt),N-Acetyl-L-seryl-L-tyrosyl-L-seryl-L-methionyl-L-glutamyl-L-histidyl-L-phenylalanyl-L-arginyl-L-tryptophylglycyl-L-lysyl-L-prolyl-L-Valinamide, xTFA salt)

CAS号:
171869-93-5
中文名称:
α-MSH (human, mouse, rat, porcine, bovine, ovine) (trifluoroacetate salt)
英文名称:
N-Acetyl-L-seryl-L-tyrosyl-L-seryl-L-methionyl-L-glutamyl-L-histidyl-L-phenylalanyl-L-arginyl-L-tryptophylglycyl-L-lysyl-L-prolyl-L-Valinamide, xTFA salt
分子式:
C79H110F3N21O21S
分子量:
1778.90702676773
简介:
α-MSH (alpha-melanocyte-stimulating hormone) TFA 作为内源性神经肽,是一种内源性 melanocortin receptor 4 (MC4R) 激动剂,具有抗炎、解热作用。α-MSH TFA 是前阿皮黑素皮质激素 (POMC) 的翻译后衍生物。

α-MSH (human, mouse, rat, porcine, bovine, ovine) (trifluoroacetate salt)(171869-93-5)名称与标识符

名称

中文别名:
α-促黑激素;
英文别名:
L-Valinamide, N-acetyl-L-seryl-L-tyrosyl-L-seryl-L-methionyl-L-glutamyl-L-histidyl-L-phenylalanyl-L-arginyl-L-tryptophylglycyl-L-lysyl-L-prolyl-xTFA salt;N-Acetyl-L-seryl-L-tyrosyl-L-seryl-L-methionyl-L-glutamyl-L-histidyl-L-phenylalanyl-L-arginyl-L-tryptophylglycyl-L-lysyl-L-prolyl-L-Valinamide, xTFA salt;α-Melanocyte-Stimulating Hormone (MSH), amide TFA;alpha-Melanocyte Stimulating Hormone amide;Ac-Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2.TFA;DA-79168;D81199;alpha-MSH Trifluoroacetate;alpha-MSH (human, mouse, rat, porcine, bovine, ovine) (trifluoroacetate salt);171869-93-5;L-Valinamide,N-acetyl-L-seryl-L-tyrosyl-L-seryl-L-methionyl-L-glutamyl-L-histidyl-L-phenylalanyl-L-arginyl-L-tryptophylglycyl-L-lysyl-L-prolyl-xTFAsalt;

标识符

InChIKey:
FEOXCJFWEWYJIH-YIUJFZBBSA-N
Inchi:
1S/C77H109N21O19S.C2HF3O2/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101;3-2(4,5)1(6)7/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83);(H,6,7)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64+;/m0./s1
SMILES:
S(C)CC[C@@H](C(N[C@@H](CCC(=O)O)C(N[C@@H](CC1=CNC=N1)C(N[C@@H](CC1C=CC=CC=1)C(N[C@@H](CCCNC(=N)N)C(N[C@@H](CC1=CNC2C=CC=CC1=2)C(NCC(N[C@@H](CCCCN)C(N1CCC[C@H]1C(N[C@@H](C(N)=O)C(C)C)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC([C@H](CO)NC([C@H](CC1C=CC(=CC=1)O)NC([C@H](CO)NC(C)=O)=O)=O)=O.FC(C(=O)O)(F)F

α-MSH (human, mouse, rat, porcine, bovine, ovine) (trifluoroacetate salt)(171869-93-5)物化性质

计算特性

  • 精确分子量 : 1777.78579526g/mol
  • 氢键供体数量 : 24
  • 氢键受体数量 : 28
  • 可旋转化学键数量 : 51
  • 同位素质量 : 1777.78579526g/mol
  • 重原子数量 : 125
  • 复杂度 : 3460
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 12
  • 不确定原子立构中心数量 : 0
  • 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 : 2
  • 拓扑分子极性表面积 : 706

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