100642-98-6 ((L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-leucyl-L-leucyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-L-leucyl-,phenylmethyl ester (9CI))

结构式：

L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-leucyl-L-leucyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-L-leucyl-,phenylmethyl ester (9CI)MOL文件

CAS号：

100642-98-6

英文名称：

L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-leucyl-L-leucyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-L-leucyl-,phenylmethyl ester (9CI)

分子式：

C₆₄H₁₁₁N₉O₁₂

分子量：

1198.61925816536

L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-leucyl-L-leucyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-L-leucyl-,phenylmethyl ester (9CI)(100642-98-6)名称与标识符

名称

英文别名：

L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-leucyl-L-leucyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-L-leucyl-,phenylmethyl ester (9CI);L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-leucyl-L-leucyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-L-leucyl-,phe;tert-butoxycarbonylleucyl-leucyl-leucyl-leucyl-aminoisobutyryl-leucyl-leucyl-leucyl-leucine benzyl ester;benzyl N-(tert-butoxycarbonyl)-L-leucyl-L-leucyl-L-leucyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-L-leucyl-L-leucinate;Boc-leu(4)-aib-leu(4)-obzl;L-Leucine, N-(N-(N-(N-(N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-leucyl)-L-leucyl)-L-leucyl)-L-leucyl)-2-methylalanyl)-L-leucyl)-L-leucyl)-L-leucyl)-, phenylmethyl ester;tert-butoxycarbonylleucyl-leucyl-leucyl-leucyl-aminoisobutyryl-leucyl-leucyl-leucyl-leucine benzyl e;benzyl (2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoate;100642-98-6;

标识符

InChIKey：

DHMCTWRJCOUSDE-XKIFMCPMSA-N

Inchi：

1S/C64H111N9O12/c1-36(2)27-45(53(74)66-48(30-39(7)8)56(77)70-52(34-43(15)16)60(81)84-35-44-25-23-22-24-26-44)67-57(78)49(31-40(9)10)71-61(82)64(20,21)73-59(80)51(33-42(13)14)69-55(76)47(29-38(5)6)65-54(75)46(28-37(3)4)68-58(79)50(32-41(11)12)72-62(83)85-63(17,18)19/h22-26,36-43,45-52H,27-35H2,1-21H3,(H,65,75)(H,66,74)(H,67,78)(H,68,79)(H,69,76)(H,70,77)(H,71,82)(H,72,83)(H,73,80)/t45-,46-,47-,48-,49-,50-,51-,52-/m0/s1

SMILES：

O=C([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CC(C)C)NC(=O)OC(C)(C)C)=O)=O)=O)NC(C)(C)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)OCC1C=CC=CC=1)CC(C)C)=O)CC(C)C)=O)CC(C)C)=O)CC(C)C)=O

L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-leucyl-L-leucyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-L-leucyl-,phenylmethyl ester (9CI)(100642-98-6)物化性质

实验特性

PSA : 302.63

计算特性

精确分子量 : 1197.83583
氢键供体数量 : 9
氢键受体数量 : 12
可旋转化学键数量 : 39
同位素质量 : 1197.83522001g/mol
重原子数量 : 85
复杂度 : 2150
同位素原子数量 : 0
确定原子立构中心数量 : 8
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） : 11.5
拓扑分子极性表面积 : 297Å²

80563-82-2(二甲氧基苯磺酰氯) 80563-87-7(Methyl 2-chloro-6-nitrobenzoate) 80538-72-3(4-乙酰-烟酰胺) 80543-51-7(O-FORMYLMANDELOYL CHLORIDE) 80584-92-5(三嗪聚羧酸三乙醇胺盐 Irgacor L184) 807295-35-8(2,4-IMIDAZOLIDINEDIONE, 5-(4-PIPERIDINYL)-) 807319-94-4((2S)-1-Isopropyl-2-methylpiperazine) 80812-32-4(3-(p-Tolylsulfonylamino)-5-fluorouracil)

100642-98-6 ((L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-leucyl-L-leucyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-L-leucyl-,phenylmethyl ester (9CI))

L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-leucyl-L-leucyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-L-leucyl-,phenylmethyl ester (9CI)(100642-98-6)名称与标识符

名称

标识符

L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-leucyl-L-leucyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-L-leucyl-,phenylmethyl ester (9CI)(100642-98-6)物化性质

实验特性

计算特性

目录