118506-26-6 (Myelin Basic Protein (87-99),L-Proline,L-valyl-L-histidyl-L-phenylalanyl-L-phenylalanyl-L-lysyl-L-asparaginyl-L-isoleucyl-L-valyl-L-threonyl-L-prolyl-L-ar)

CAS号:
118506-26-6
中文名称:
Myelin Basic Protein (87-99)
英文名称:
L-Proline,L-valyl-L-histidyl-L-phenylalanyl-L-phenylalanyl-L-lysyl-L-asparaginyl-L-isoleucyl-L-valyl-L-threonyl-L-prolyl-L-ar
分子式:
C74H114N20O17
分子量:
1555.82077646255
简介:
Myelin Basic Protein(87-99) 是一种致脑肽,可诱导碱性蛋白特异性 T 细胞增殖。Myelin Basic Protein(87-99) 在外周血单核细胞中引起 Th1 极化,与多发性硬化症 (MS) 有关。

Myelin Basic Protein (87-99)(118506-26-6)名称与标识符

名称

英文别名:
L-Proline,L-valyl-L-histidyl-L-phenylalanyl-L-phenylalanyl-L-lysyl-L-asparaginyl-L-isoleucyl-L-valyl-L-threonyl-L-prolyl-L-arginyl-L-threonyl-;H-Arg-Phe-Ala-OH;L-Proline,L-valyl-L-histidyl-L-phenylalanyl-L-phenylalanyl-L-lysyl-L-asparaginyl-L-isoleucyl-L...;L-Proline,L-valyl-L-histidyl-L-phenylalanyl-L-phenylalanyl-L-lysyl-L-asparaginyl-L-isoleucyl-L-valyl-L-threonyl-L-prolyl-L-ar;Myelin Basic Protein (87-99);Myelin Basic Protein (87-99) (human, bovine, rat);VAL-HIS-PHE-PHE-LYS-ASN-ILE-VAL-THR-PRO-ARG-THR-PRO;H-VAL-HIS-PHE-PHE-LYS-ASN-ILE-VAL-THR-PRO-ARG-THR-PRO-OH;VHFFKNIVTPRTP;MBP (87-99) HUMAN;MBP (HUMAN, BOVINE, RAT);MYELIN BASIC PROTEIN MBP (87-99), HUMAN;MYELIN BASIC PROTEIN (87-99), GUINEA PIG, HUMAN;H-VAL-HIS-PHE-PHE-LYS-ASN-ILE-VAL-THR-PRO-ARG-THR-PRO-OH (HUMAN, BOVINE, RAT);Myelin Basic Protein(87-99);AKOS024457605;118506-26-6;Myelin basic protein(87-99)(human,bovine,rat);MFCD00237186;CHEMBL526158;NCGC00167350-01;PD077008;DA-65725;

标识符

MDL:
MFCD00237186
InChIKey:
XSSZRUKIAIQNAZ-GYDONCFLSA-N
Inchi:
1S/C74H114N20O17/c1-9-41(6)58(70(107)89-57(40(4)5)69(106)92-60(43(8)96)71(108)93-31-19-27-53(93)67(104)84-48(26-18-30-81-74(78)79)62(99)91-59(42(7)95)72(109)94-32-20-28-54(94)73(110)111)90-66(103)52(36-55(76)97)87-61(98)47(25-16-17-29-75)83-63(100)49(33-44-21-12-10-13-22-44)85-64(101)50(34-45-23-14-11-15-24-45)86-65(102)51(35-46-37-80-38-82-46)88-68(105)56(77)39(2)3/h10-15,21-24,37-43,47-54,56-60,95-96H,9,16-20,25-36,75,77H2,1-8H3,(H2,76,97)(H,80,82)(H,83,100)(H,84,104)(H,85,101)(H,86,102)(H,87,98)(H,88,105)(H,89,107)(H,90,103)(H,91,99)(H,92,106)(H,110,111)(H4,78,79,81)/t41-,42+,43+,47-,48-,49-,50-,51-,52-,53-,54-,56-,57-,58+,59-,60-/m0/s1
SMILES:
O=C([C@H]([C@@H](C)O)NC([C@H](C(C)C)NC([C@@H]([C@@H](C)CC)NC([C@H](CC(N)=O)NC([C@H](CCCCN)NC([C@H](CC1C=CC=CC=1)NC([C@H](CC1C=CC=CC=1)NC([C@H](CC1=CN=CN1)NC([C@H](C(C)C)N)=O)=O)=O)=O)=O)=O)=O)=O)N1CCC[C@H]1C(N[C@H](C(N[C@@H]([C@@H](C)O)C(N1CCC[C@H]1C(=O)O)=O)=O)CCC/N=C(\N)/N)=O

Myelin Basic Protein (87-99)(118506-26-6)物化性质

实验特性

  • LogP : 3.14350
  • PSA : 595.09000

计算特性

  • 精确分子量 : 1554.87000
  • 氢键供体数量 : 19
  • 氢键受体数量 : 21
  • 可旋转化学键数量 : 45
  • 同位素质量 : 1554.86708225g/mol
  • 重原子数量 : 111
  • 复杂度 : 3170
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 16
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : -3.4
  • 拓扑分子极性表面积 : 598

Myelin Basic Protein (87-99)(118506-26-6)安全信息

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