101212-63-9 ((L-Phenylalaninamide,L-leucyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-alanyl-L-tyrosylglycyl-L-tryptophyl-L-leucyl-L-a-aspartyl- (9CI))

结构式：

L-Phenylalaninamide,L-leucyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-alanyl-L-tyrosylglycyl-L-tryptophyl-L-leucyl-L-a-aspartyl- (9CI)MOL文件

CAS号：

101212-63-9

英文名称：

L-Phenylalaninamide,L-leucyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-alanyl-L-tyrosylglycyl-L-tryptophyl-L-leucyl-L-a-aspartyl- (9CI)

分子式：

C₇₀H₉₁N₁₅O₂₆

分子量：

1558.55645775795

L-Phenylalaninamide,L-leucyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-alanyl-L-tyrosylglycyl-L-tryptophyl-L-leucyl-L-a-aspartyl- (9CI)(101212-63-9)名称与标识符

名称

英文别名：

L-Phenylalaninamide,L-leucyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-alanyl-L-tyrosylglycyl-L-tryptophyl-L-leucyl-L-a-aspartyl- (9CI);L-Phenylalaninamide,L-leucyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-alanyl-L-tyrosylglycyl-L-tryp;minigastrin, des-Trp(1)-Asp(5)-Leu(12)-;1-De-trp-5-asp-12-leu-minigastrin;Dtal-minigastrin;Minigastrin, des-tryptophyl(1)-aspartyl(5)-leucine(12)-;DTXSID00143789;UNII-262J9O2552;Q6865251;101212-63-9;262J9O2552;

标识符

InChIKey：

ORZPRFPUQBDMNS-MEHQFLSCSA-N

Inchi：

1S/C70H91N15O26/c1-32(2)19-40(71)61(102)79-47(25-54(90)91)67(108)83-50(28-57(96)97)69(110)85-51(29-58(98)99)70(111)84-49(27-56(94)95)68(109)81-46(24-53(88)89)63(104)75-34(5)60(101)78-44(22-36-15-17-38(86)18-16-36)62(103)74-31-52(87)76-45(23-37-30-73-41-14-10-9-13-39(37)41)65(106)80-43(20-33(3)4)64(105)82-48(26-55(92)93)66(107)77-42(59(72)100)21-35-11-7-6-8-12-35/h6-18,30,32-34,40,42-51,73,86H,19-29,31,71H2,1-5H3,(H2,72,100)(H,74,103)(H,75,104)(H,76,87)(H,77,107)(H,78,101)(H,79,102)(H,80,106)(H,81,109)(H,82,105)(H,83,108)(H,84,111)(H,85,110)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)/t34-,40-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1

SMILES：

O=C([C@H](CC(C)C)NC([C@H](CC1=CNC2C=CC=CC1=2)NC(CNC([C@H](CC1C=CC(=CC=1)O)NC([C@H](C)NC([C@H](CC(=O)O)NC([C@H](CC(=O)O)NC([C@H](CC(=O)O)NC([C@H](CC(=O)O)NC([C@H](CC(=O)O)NC([C@H](CC(C)C)N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)N[C@H](C(N[C@H](C(N)=O)CC1C=CC=CC=1)=O)CC(=O)O

L-Phenylalaninamide,L-leucyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-alanyl-L-tyrosylglycyl-L-tryptophyl-L-leucyl-L-a-aspartyl- (9CI)(101212-63-9)物化性质

实验特性

PSA : 675.23

计算特性

精确分子量 : 1556.6186
氢键供体数量 : 22
氢键受体数量 : 27
可旋转化学键数量 : 47
同位素质量 : 1557.625968
重原子数量 : 111
复杂度 : 3350
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 : 1
疏水参数计算参考值（XlogP） : _5.4
拓扑分子极性表面积 : 678

L-Phenylalaninamide,L-leucyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-a-aspartyl-L-alanyl-L-tyrosylglycyl-L-tryptophyl-L-leucyl-L-a-aspartyl- (9CI)(101212-63-9)相关文献

1. Peptide synthesis. Part 4. Solid-phase syntheses of peptides related to gastrin
Evelyn Brown,Robert C. Sheppard,Brian J. Williams J. Chem. Soc. Perkin Trans. 1 1983 75
2. Molecular imaging probes derived from natural peptides
C. L. Charron,J. L. Hickey,T. K. Nsiama,D. R. Cruickshank,W. L. Turnbull,L. G. Luyt Nat. Prod. Rep. 2016 33 761
3. Radiometallated peptides for molecular imaging and targeted therapy
Jo?o D. G. Correia,António Paulo,Paula D. Raposinho,Isabel Santos Dalton Trans. 2011 40 6144
4. Peptide synthesis. Part 5. Solid-phase synthesis of [15-leucine]little gastrin
Evelyn Brown,Robert C. Sheppard,Brian J. Williams J. Chem. Soc. Perkin Trans. 1 1983 1161
5. An efficient general method for the synthesis of gastrins
Evelyn Brown,Brian J. Williams,Robert C. Sheppard J. Chem. Soc. Chem. Commun. 1980 1093
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Evelyn Brown,Brian J. Williams,Robert C. Sheppard J. Chem. Soc. Chem. Commun. 1980 1093
7. Synthesis of tripeptide derivatized cyclopentadienyl complexes of technetium and rhenium as radiopharmaceutical probes
Qaisar Nadeem,Daniel Can,Yunjun Shen,Michael Felber,Zaid Mahmood,Roger Alberto Org. Biomol. Chem. 2014 12 1966
8. Peptide-based positron emission tomography probes: current strategies for synthesis and radiolabelling
Mariacristina Failla,Giuseppe Floresta,Vincenzo Abbate RSC Med. Chem. 2023 14 592
9. Fluorescent chemical probes for accurate tumor diagnosis and targeting therapy
Min Gao,Fabiao Yu,Changjun Lv,Jaebum Choo,Lingxin Chen Chem. Soc. Rev. 2017 46 2237
10. How do HYNIC-conjugated peptides bind technetium? Insights from LC-MS and stability studies
Robert C. King,M. Bashir-Uddin Surfraz,Stefano C. G. Biagini,Philip J. Blower,Stephen J. Mather Dalton Trans. 2007 4998

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