噻唑并[4,5-c]吡啶,2-甲基-

CAS号
5854-98-8
CCD编号
CCD00274036
分子式
C53 H100 N16 O13
分子量
1169.47

基本信息

产品名称: 噻唑并[4,5-c]吡啶,2-甲基-
CAS: 5854-98-8
中文同义词: 噻唑并[4,5-c]吡啶,2-甲基-
英文同义词: CIRCULIN A
MDL号: MFCD01939495
氢键受体数量: 29
氢键供体数量: 18
Smile: CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)[C@@H](C)CC)CCN)CCN)[C@@H](C)O
InChi: InChI=1S/C53H100N16O13/c1-9-29(5)13-11-12-14-40(72)60-33(15-21-54)48(77)69-43(32(8)71)53(82)65-36(18-24-57)45(74)63-38-20-26-59-51(80)42(31(7)70)68-49(78)37(19-25-58)62-44(73)35(17-23-56)64-52(81)41(30(6)10-2)67-50(79)39(27-28(3)4)66-46(75)34(16-22-55)61-47(38)76/h28-39,41-43,70-71H,9-27,54-58H2,1-8H3,(H,59,80)(H,60,72)(H,61,76)(H,62,73)(H,63,74)(H,64,81)(H,65,82)(H,66,75)(H,67,79)(H,68,78)(H,69,77)/t29?,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,41-,42-,43-/m0/s1
InChiKey: InChIKey=CQLCVUOURZVYSE-PMXCNUABSA-N

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