152429-64-6 ((6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11,11'-[3-[2-(5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-10,19-dimethyl-1,28-dioxo-3,10,19,26-tetraazaoctacosane-1,28-diyl]bis[5,11-dihydro-)

快速询单

结构式：

6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11,11'-[3-[2-(5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-10,19-dimethyl-1,28-dioxo-3,10,19,26-tetraazaoctacosane-1,28-diyl]bis[5,11-dihydro-结构式图片|152429-64-6结构式图片

CAS号：

152429-64-6

英文名称：

分子式：

C₆₄H₇₇N₁₃O₆

分子量：

1124.37969374657

6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11,11'-[3-[2-(5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-10,19-dimethyl-1,28-dioxo-3,10,19,26-tetraazaoctacosane-1,28-diyl]bis[5,11-dihydro-(152429-64-6)名称与标识符

名称

英文别名：

6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11,11'-[3-[2-(5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-10,19-dimethyl-1,28-dioxo-3,10,19,26-tetraazaoctacosane-1,28-diyl]bis[5,11-dihydro-;11-[2-[6-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methylamino]octyl-methylamino]hexylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11,11'-[3-[2-(5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethy;6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11,11'-[3-[2-(5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-10,19-dimethyl-1,28-dioxo-3,10,19,26-tetraazaoctacosane-1,28-diyl]bis[5,;10,19-dimethyl-1,28-bis(6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-3-[2-oxo-2-(6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-3,10,19,26-tetraazaoctacosane-1,28-dione;6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11,11'-(3-(2-(5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-10,19-dimethyl-1,28-dioxo-3,10,19,26-tetraazaoctacosane-1,28-diyl)bis(5,11-dihydro-;Tripitramine;152429-64-6;CHEMBL265256;BDBM82423;DTXSID30165030;PDSP1_000934;GTPL361;SCHEMBL20584784;PDSP2_000920;CAS_132947;Q27089026;11-[2-[6-[methyl-[8-[methyl-[6-[[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl]amino]octyl]amino]hexyl-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;NSC_132947;L000604;DTXCID0087521;11-(2-(6-(methyl-(8-(methyl-(6-((2-oxo-2-(6-oxo-5H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)ethyl)amino)hexyl)amino)octyl)amino)hexyl-(2-oxo-2-(6-oxo-5H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)ethyl)amino)acetyl)-5H-pyrido(2,3-b)(1,4)benzodiazepin-6-one;

标识符

InChIKey：

YUJOQEAGGUIMED-UHFFFAOYSA-N

Inchi：

1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)

SMILES：

O=C(CN(CC(N1C2=C(C=CC=N2)NC(C2C=CC=CC1=2)=O)=O)CCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(N1C2=C(C=CC=N2)NC(C2C=CC=CC1=2)=O)=O)N1C2=C(C=CC=N2)NC(C2C=CC=CC1=2)=O

6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11,11'-[3-[2-(5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-10,19-dimethyl-1,28-dioxo-3,10,19,26-tetraazaoctacosane-1,28-diyl]bis[5,11-dihydro-(152429-64-6)物化性质

实验特性

折射率 : 1.611
沸点 : °Cat760mmHg
闪点 : °C
密度 : 1.232

计算特性

精确分子量 : 1123.612
氢键供体数量 : 4
氢键受体数量 : 13
可旋转化学键数量 : 29
同位素质量 : 1123.612
重原子数量 : 83
复杂度 : 1990
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 : 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） : 7.7
拓扑分子极性表面积 : 209Å²

6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11,11'-[3-[2-(5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-10,19-dimethyl-1,28-dioxo-3,10,19,26-tetraazaoctacosane-1,28-diyl]bis[5,11-dihydro-(152429-64-6)推荐厂家更多厂家(2)

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6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11,11'-[3-[2-(5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-10,19-dimethyl-1,28-dioxo-3,10,19,26-tetraazaoctacosane-1,28-diyl]bis[5,11-dihydro-(152429-64-6)相关文献

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