104180-31-6 ((L-Isoleucine,L-phenylalanyl-L-leucyl-L-a-glutamyl-L-a-glutamyl-,monoammonium salt (9CI))

CAS号:
104180-31-6
英文名称:
L-Isoleucine,L-phenylalanyl-L-leucyl-L-a-glutamyl-L-a-glutamyl-,monoammonium salt (9CI)
分子式:
C31H50N6O10
分子量:
666.76290845871

L-Isoleucine,L-phenylalanyl-L-leucyl-L-a-glutamyl-L-a-glutamyl-,monoammonium salt (9CI)(104180-31-6)名称与标识符

名称

英文别名:
L-Isoleucine,L-phenylalanyl-L-leucyl-L-a-glutamyl-L-a-glutamyl-,monoammonium salt (9CI);azanium,2-[[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoate;PHE-LEU-GLU-GLU-ILE;PHE-LEU-GLU-GLU-ILE AMMONIUM;Rat prothrombin precursor fragment 5-9;azanium;2-[[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoate;DTXSID60657559;104180-31-6;Ammonium phenylalanylleucyl-alpha-glutamyl-N-(1-carboxylato-2-methylbutyl)-alpha-glutamine;

标识符

InChIKey:
SYDVHVWQYOYYJG-UHFFFAOYSA-N
Inchi:
1S/C31H47N5O10.H3N/c1-5-18(4)26(31(45)46)36-29(43)22(12-14-25(39)40)33-28(42)21(11-13-24(37)38)34-30(44)23(15-17(2)3)35-27(41)20(32)16-19-9-7-6-8-10-19;/h6-10,17-18,20-23,26H,5,11-16,32H2,1-4H3,(H,33,42)(H,34,44)(H,35,41)(H,36,43)(H,37,38)(H,39,40)(H,45,46);1H3
SMILES:
O=C(C(CC(C)C)NC(C(CC1C=CC=CC=1)N)=O)NC(C(NC(C(NC(C(=O)[O-])C(C)CC)=O)CCC(=O)O)=O)CCC(=O)O.[NH4+]

L-Isoleucine,L-phenylalanyl-L-leucyl-L-a-glutamyl-L-a-glutamyl-,monoammonium salt (9CI)(104180-31-6)物化性质

计算特性

  • 精确分子量 : 666.35884181g/mol
  • 氢键供体数量 : 8
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 20
  • 同位素质量 : 666.35884181g/mol
  • 重原子数量 : 47
  • 复杂度 : 1060
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 6
  • 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 : 258Ų