130349-12-1 ((L-Tyrosine,N-[N-[N-[N-[N-[N2-[N-[N-(N2-glycyl-L-lysyl)-L-methionyl]-L-valyl]-L-lysyl]-L-valyl]-L-valyl]-L-seryl]-L-tryptophyl]-(9CI))

CAS号:
130349-12-1
英文名称:
L-Tyrosine,N-[N-[N-[N-[N-[N2-[N-[N-(N2-glycyl-L-lysyl)-L-methionyl]-L-valyl]-L-lysyl]-L-valyl]-L-valyl]-L-seryl]-L-tryptophyl]-(9CI)
分子式:
C57H89N13O13S
分子量:
1196.46087241173

L-Tyrosine,N-[N-[N-[N-[N-[N2-[N-[N-(N2-glycyl-L-lysyl)-L-methionyl]-L-valyl]-L-lysyl]-L-valyl]-L-valyl]-L-seryl]-L-tryptophyl]-(9CI)(130349-12-1)名称与标识符

名称

英文别名:
L-Tyrosine,N-[N-[N-[N-[N-[N2-[N-[N-(N2-glycyl-L-lysyl)-L-methionyl]-L-valyl]-L-lysyl]-L-valyl]-L-valyl]-L-seryl]-L-tryptophyl]-(9CI);glyceraldehyde 3-phosphate dehydrogenase (304-313);L-Tyrosine,N-[N-[N-[N-[N-[N2-[N-[N-(N2-glycyl-L-lysyl)-L-methionyl]-L-valyl]-L-lysyl]-L-valyl]...;L-Tyrosine,N-[N-[N-[N-[N-[N2-[N-[N-(N2-glycyl-L-lysyl)-L-methionyl]-L-valyl]-L-lysyl]-L-valyl]-L-valyl]-L-seryl]-L-tryptophyl;Ace inhibitor BG-2;glycyl-D-lysyl-L-methionyl-L-valyl-L-lysyl-L-valyl-L-valyl-L-seryl-L-tryptophyl-L-tyrosine;Gly-lys-met-val-lys-val-val-ser-trp-tyr;L-Tyrosine, N-(N-(N-(N-(N-(N2-(N-(N-(N2-glycyl-L-lysyl)-L-methionyl)-L-valyl)-L-lysyl)-L-valyl)-L-valyl)-L-seryl)-L-tryptophyl)-;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid;130349-12-1;

标识符

InChIKey:
MGYNMUZMHGMZTN-FCHOXZRBSA-N
Inchi:
1S/C57H89N13O13S/c1-31(2)46(68-51(76)41(22-25-84-7)63-49(74)39(16-10-12-23-58)62-45(73)28-60)54(79)64-40(17-11-13-24-59)50(75)69-48(33(5)6)56(81)70-47(32(3)4)55(80)67-44(30-71)53(78)65-42(27-35-29-61-38-15-9-8-14-37(35)38)52(77)66-43(57(82)83)26-34-18-20-36(72)21-19-34/h8-9,14-15,18-21,29,31-33,39-44,46-48,61,71-72H,10-13,16-17,22-28,30,58-60H2,1-7H3,(H,62,73)(H,63,74)(H,64,79)(H,65,78)(H,66,77)(H,67,80)(H,68,76)(H,69,75)(H,70,81)(H,82,83)/t39-,40+,41+,42+,43+,44+,46+,47+,48+/m1/s1
SMILES:
S(C)CC[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N[C@H](C(=O)O)CC1C=CC(=CC=1)O)=O)CC1=CNC2C=CC=CC1=2)=O)=O)C(C)C)=O)C(C)C)=O)CCCCN)=O)C(C)C)=O)NC([C@@H](CCCCN)NC(CN)=O)=O

L-Tyrosine,N-[N-[N-[N-[N-[N2-[N-[N-(N2-glycyl-L-lysyl)-L-methionyl]-L-valyl]-L-lysyl]-L-valyl]-L-valyl]-L-seryl]-L-tryptophyl]-(9CI)(130349-12-1)物化性质

实验特性

  • PSA : 430.61

计算特性

  • 精确分子量 : 1194.63514
  • 氢键供体数量 : 16
  • 氢键受体数量 : 17
  • 可旋转化学键数量 : 38
  • 同位素质量 : 1195.64235112g/mol
  • 重原子数量 : 84
  • 复杂度 : 2140
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 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) : -0.7
  • 拓扑分子极性表面积 : 459Ų