己基二硫代氨基甲酸甲酯

CAS号
71888-70-5
CCD编号
CCD00250502
分子式
C55 H94 N12 O11
分子量
1099.42

基本信息

产品名称: 己基二硫代氨基甲酸甲酯
CAS: 71888-70-5
中文同义词: 己基二硫代氨基甲酸甲酯
英文同义词: PERMETIN A
MDL号: MFCD01748941
氢键受体数量: 23
氢键供体数量: 12
Smile: CC[C@H]1C(=O)OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)C(C)C)CCN)CC(C)C)Cc2ccccc2)CCN)C(C)CC)CCN)C(C)CC
InChi: InChI=1S/C55H94N12O11/c1-12-33(10)43-29-44(68)59-37(20-23-56)48(70)67-46(34(11)13-2)54(76)62-38(21-24-57)47(69)64-42(28-35-18-16-15-17-19-35)52(74)63-40(26-30(4)5)51(73)61-39(22-25-58)49(71)66-45(32(8)9)53(75)65-41(27-31(6)7)50(72)60-36(14-3)55(77)78-43/h15-19,30-34,36-43,45-46H,12-14,20-29,56-58H2,1-11H3,(H,59,68)(H,60,72)(H,61,73)(H,62,76)(H,63,74)(H,64,69)(H,65,75)(H,66,71)(H,67,70)/t33?,34?,36-,37-,38-,39-,40-,41-,42+,43?,45+,46-/m0/s1
InChiKey: InChIKey=MFBCBUNQRBUQCI-DTRGSCPFSA-N

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