Basic Information |
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| Product Name： | RAMOPLANIN A'1 |
| CAS： | 124884-28-2 |
| English Synonyms： | RAMOPLANIN A'1 |
| MDL Number.： | MFCD00884723 |
| H bond acceptor： | 56 |
| H bond donor： | 33 |
| Smile： | CCC/C=C\C=C/C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)c2ccc(cc2)O)CCCN)[C@@H](C)O)c3ccc(cc3)O)c4ccc(cc4)O)[C@H](C)O)Cc5ccccc5)CCCN)c6ccc(cc6)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)[C@@H](C)O)c8ccc(cc8)O)CC(C)C)C)c9ccc(c(c9)Cl)O)C(=O)N |
| InChi： | InChI=1S/C112H142ClN21O35/c1-8-9-10-11-15-22-79(145)120-75(50-78(116)144)101(156)134-90-94(95(117)150)169-111(166)89(64-33-44-76(143)70(113)49-64)133-96(151)54(4)119-99(154)73(47-53(2)3)121-80(146)51-118-102(157)84(59-23-34-65(139)35-24-59)129-105(160)83(57(7)138)127-107(162)86(63-31-42-69(43-32-63)167-112-93(149)92(148)91(147)77(52-135)168-112)128-98(153)71(20-16-45-114)122-100(155)74(48-58-18-13-12-14-19-58)124-103(158)81(55(5)136)126-108(163)87(61-27-38-67(141)39-28-61)131-109(164)88(62-29-40-68(142)41-30-62)130-104(159)82(56(6)137)125-97(152)72(21-17-46-115)123-106(161)85(132-110(90)165)60-25-36-66(140)37-26-60/h10-15,18-19,22-44,49,53-57,71-75,77,81-94,112,135-143,147-149H,8-9,16-17,20-21,45-48,50-52,114-115H2,1-7H3,(H2,116,144)(H2,117,150)(H,118,157)(H,119,154)(H,120,145)(H,121,146)(H,122,155)(H,123,161)(H,124,158)(H,125,152)(H,126,163)(H,127,162)(H,128,153)(H,129,160)(H,130,159)(H,131,164)(H,132,165)(H,133,151)(H,134,156)/b11-10-,22-15-/t54-,55+,56-,57-,71-,72-,73+,74+,75+,77-,81+,82-,83-,84+,85-,86+,87?,88?,89+,90+,91-,92+,93+,94+,112+/m1/s1 |
| InChiKey： | InChIKey=KGTWTFTVFJILTL-AFFFADBNSA-N |
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