分析物名称

Ramoplanin Acetate

分子式

C119H154ClN21O40 • x( C2H4O2)

SMILES

O[C@H]([C@@H](C(N[C@@H](CC1=CC=CC=C1)C(N[C@H](CCCN)C2=O)=O)=O)NC([C@@H](C3=CC=C(O)C=C3)NC([C@H](C4=CC=C(O)C=C4)NC([C@@H]([C@H](O)C)NC([C@H](NC([C@H](NC([C@H]([C@H](OC([C@H](C5=CC=C(O)C(Cl)=C5)NC([C@H](NC([C@@H](NC(CNC([C@@H](NC([C@H](NC([C@H](C6=CC=C(O[C@@H]7[C@@H](OC8[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)[C@@H](O)[C@H](O)[C@@H](CO)O7)C=C6)N2)=O)[C@@H](C)O)=O)C9=CC=C(O)C=C9)=O)=O)CC(C)C)=O)C)=O)=O)C(N)=O)NC([C@@H](NC(/C=C\C=C\CC(C)C)=O)CC(N)=O)=O)=O)C%10=CC=C(O)C=C%10)=O)CCCN)=O)=O)=O)=O)C.CC(O)=O

InChI

InChI=1S/C119H154ClN21O40.C2H4O2/c1-54(2)17-11-9-14-22-82(153)127-77(50-81(123)152)107(166)141-93-99(101(124)160)180-117(176)92(66-33-44-78(151)72(120)49-66)140-102(161)56(5)126-105(164)75(47-55(3)4)128-83(154)51-125-108(167)87(61-23-34-67(147)35-24-61)136-111(170)86(59(8)146)134-113(172)89(65-31-42-71(43-32-65)177-119-100(97(158)95(156)80(53-143)179-119)181-118-98(159)96(157)94(155)79(52-142)178-118)135-104(163)73(20-15-45-121)129-106(165)76(48-60-18-12-10-13-19-60)131-109(168)84(57(6)144)133-114(173)90(63-27-38-69(149)39-28-63)138-115(174)91(64-29-40-70(150)41-30-64)137-110(169)85(58(7)145)132-103(162)74(21-16-46-122)130-112(171)88(139-116(93)175)62-25-36-68(148)37-26-62;1-2(3)4/h9-14,18-19,22-44,49,54-59,73-77,79-80,84-100,118-119,142-151,155-159H,15-17,20-21,45-48,50-53,121-122H2,1-8H3,(H2,123,152)(H2,124,160)(H,125,167)(H,126,164)(H,127,153)(H,128,154)(H,129,165)(H,130,171)(H,131,168)(H,132,162)(H,133,173)(H,134,172)(H,135,163)(H,136,170)(H,137,169)(H,138,174)(H,139,175)(H,140,161)(H,141,166);1H3,(H,3,4)/b11-9+,22-14-;/t56?,57?,58?,59?,73-,74-,75+,76+,77+,79-,80-,84+,85-,86-,87+,88-,89+,90-,91+,92+,93+,94-,95-,96+,97+,98+,99+,100+,118-,119+;/m1./s1

IUPAC

(2S)-N1-((3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-(4-(((2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-18,39-bis((R)-1-hydroxyethyl)-30-((S)-1-hydroxyethyl)-15,33,36,45-tetrakis(4-hydroxyphenyl)-9-isobutyl-6-methyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontan-48-yl)-2-((2Z,4E)-7-methylocta-2,4-dienamido)succinamide acetate

备用CAS登记号

Free base: 76168-82-6

存储温度

-20°C

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat