ACETYL CYCLOSPORIN A

CAS号
83602-41-9
CCD编号
CCD01018461
分子式
C64 H113 N11 O13
分子量
1244.66

基本信息

产品名称: ACETYL CYCLOSPORIN A
CAS: 83602-41-9
英文同义词: ACETYL CYCLOSPORIN A
MDL号: MFCD11111449
氢键受体数量: 24
氢键供体数量: 4
Smile: CC[C@H]1C(=O)N(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)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)OC(=O)C)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
InChi: InChI=1S/C64H113N11O13/c1-26-28-29-41(15)54(88-44(18)76)53-58(81)67-45(27-2)60(83)69(19)34-50(77)70(20)46(30-35(3)4)57(80)68-51(39(11)12)63(86)71(21)47(31-36(5)6)56(79)65-42(16)55(78)66-43(17)59(82)72(22)48(32-37(7)8)61(84)73(23)49(33-38(9)10)62(85)74(24)52(40(13)14)64(87)75(53)25/h26,28,35-43,45-49,51-54H,27,29-34H2,1-25H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b28-26+/t41-,42+,43-,45+,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1
InChiKey: InChIKey=KUSICUWKCBCAHV-ZSINMPTNSA-N

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