89458-24-2 ((Glycylphenylalanylglutaminyl-alpha-glutamylalanyltyrosylarginylarginylphenylalanyltyrosylglycylprolylvaline)

CAS号:
89458-24-2
英文名称:
Glycylphenylalanylglutaminyl-alpha-glutamylalanyltyrosylarginylarginylphenylalanyltyrosylglycylprolylvaline
分子式:
C75H104N20O19
分子量:
1589.7508764267

Glycylphenylalanylglutaminyl-alpha-glutamylalanyltyrosylarginylarginylphenylalanyltyrosylglycylprolylvaline(89458-24-2)名称与标识符

名称

英文别名:
L-Valine,glycyl-L-phenylalanyl-L-glutaminyl-L-a-glutamyl-L-alanyl-L-tyrosyl-L-arginyl-L-arginyl-L-phenylalanyl-L-tyrosylglycyl-L-prolyl-;GLY-PHE-GLN-GLU-ALA-TYR-ARG-ARG-PHE-TYR-GLY-PRO-VAL;L-Valine,glycyl-L-phenylalanyl-L-glutaminyl-L-a-glutamyl-L-alanyl-L-tyrosyl-L-arginyl-L-arginyl-L-phenylalanyl-L-tyrosylglycy;Osteocalcin (37-49) (human);OSTEOCALCIN, FRAGMENT 37-49;Glycylphenylalanylglutaminyl-alpha-glutamylalanyltyrosylarginylarginylphenylalanyltyrosylglycylprolylvaline;H-GLY-PHE-GLN-GLU-ALA-TYR-ARG-ARG-PHE-TYR-GLY-PRO-VAL-OH;Glycyl-L-phenylalanyl-L-glutaminyl-L-α-glutamyl-L-alanyl-L-tyrosyl-L-arginyl-L-arginyl-L-phenylalanyl-L-tyrosylglycyl-L-prolyl-L-valine (ACI);410: PN: WO0069900 SEQID: 1096 unclaimed sequence;854: PN: US20090175821 SEQID: 1096 claimed protein;8: PN: WO0198348 SEQID: 7 unclaimed sequence;

标识符

InChIKey:
FRSSONJBDAMKPE-HTGCXXAISA-N
Inchi:
1S/C75H104N20O19/c1-41(2)62(73(113)114)94-72(112)57-19-12-34-95(57)60(100)40-84-64(104)53(37-45-20-24-47(96)25-21-45)92-71(111)56(36-44-15-8-5-9-16-44)93-67(107)50(18-11-33-83-75(80)81)87-66(106)49(17-10-32-82-74(78)79)88-70(110)55(38-46-22-26-48(97)27-23-46)91-63(103)42(3)85-65(105)52(29-31-61(101)102)89-68(108)51(28-30-58(77)98)90-69(109)54(86-59(99)39-76)35-43-13-6-4-7-14-43/h4-9,13-16,20-27,41-42,49-57,62,96-97H,10-12,17-19,28-40,76H2,1-3H3,(H2,77,98)(H,84,104)(H,85,105)(H,86,99)(H,87,106)(H,88,110)(H,89,108)(H,90,109)(H,91,103)(H,92,111)(H,93,107)(H,94,112)(H,101,102)(H,113,114)(H4,78,79,82)(H4,80,81,83)/t42-,49-,50-,51-,52-,53-,54-,55-,56-,57-,62-/m0/s1
SMILES:
C(N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C)(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)CN)CC1C=CC=CC=1)CC1C=CC(O)=CC=1)CC1C=CC=CC=1)CC1C=CC(O)=CC=1

Glycylphenylalanylglutaminyl-alpha-glutamylalanyltyrosylarginylarginylphenylalanyltyrosylglycylprolylvaline(89458-24-2)物化性质

实验特性

  • LogP : 3.71990
  • PSA : 648.38000

计算特性

  • 精确分子量 : 1588.78000
  • 氢键供体数量 : 23
  • 氢键受体数量 : 22
  • 可旋转化学键数量 : 49
  • 重原子数量 : 114
  • 复杂度 : 3270
  • 疏水参数计算参考值(XlogP) : -3.2
  • 拓扑分子极性表面积 : 648

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