Antibiotic L 17392
Antibiotic L 17392 · CAS 89139-42-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Antibiotic L 17392
- CAS
- 89139-42-4
- CID
- 16131294
- IUPAC 名称
- (1S,2R,19R,22R,34S,37R,52S)-22-amino-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Antibiotic L 17392
- CAS
- 89139-42-4
- CID
- 16131294
- IUPAC 名称
- (1S,2R,19R,22R,34S,37R,52S)-22-amino-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
分子属性
- 分子式
- C58H45Cl2N7O18
- 分子量
- 1198.9 g/mol
- 精确质量
- 1197.219813 Da
- 单同位素质量
- 1197.219813 Da
- XLogP
- 1.7
- 极性表面积
- 407 Ų
- 氢键供体
- 15
- 氢键受体
- 19
- 可旋转键
- 1
- 重原子数
- 85
- 净电荷
- 0
- 结构复杂度
- 2490
结构标识
- InChIKey
- DKVBOUDTNWVDEP-ZCVCDMNQSA-N
- SMILES
- C1[C@@H]2C(=O)N[C@@H](C3=CC(=CC(=C3)OC4=C(C=CC(=C4)[C@H](C(=O)N2)N)O)O)C(=O)N[C@@H]5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)[C@H]([C@H]8C(=O)N[C@@H](C9=C(C(=CC(=C9)O)O)C2=C(C=CC(=C2)C(C(=O)N8)NC5=O)O)C(=O)O)O)Cl)O)OC2=C(C=C1C=C2)Cl
- InChI
- InChI=1S/C58H45Cl2N7O18/c59-32-9-21-1-7-38(32)84-41-16-26-17-42(51(41)74)85-39-8-4-24(14-33(39)60)50(73)49-57(80)66-48(58(81)82)31-19-28(69)20-37(72)43(31)30-13-23(3-5-35(30)70)45(54(77)67-49)64-56(79)47(26)65-55(78)46-25-11-27(68)18-29(12-25)83-40-15-22(2-6-36(40)71)44(61)53(76)62-34(10-21)52(75)63-46/h1-9,11-20,34,44-50,68-74H,10,61H2,(H,62,76)(H,63,75)(H,64,79)(H,65,78)(H,66,80)(H,67,77)(H,81,82)/t34-,44-,45?,46+,47-,48+,49+,50-/m1/s1