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Substance Name: EC-0543
RN: 1059477-95-0
UNII: B4M8O45G9V
InChIKey: QCQJJEGKYZWNPO-DRGNVCQDSA-N

Molecular Formula

  • C111-H167-N23-O45-S3

Molecular Weight

  • 2639.8543
 
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Names and Synonyms

Name of Substance

  • EC-0543

Synonyms

  • EC-0543
  • UNII-B4M8O45G9V

Registry Numbers

CAS Registry Number

  • 1059477-95-0

FDA UNII

  • B4M8O45G9V

System Generated Number

  • 1059477950

Structure Descriptors

InChI

1S/C111H167N23O45S3/c1-10-54(6)87(128-104(169)71-13-11-12-34-133(71)9)107(171)134(51-178-86(154)37-52(2)3)72(53(4)5)40-79(179-56(8)138)106-127-69(49-180-106)103(168)119-60(39-57-14-20-62(139)21-15-57)38-55(7)96(161)131-132-111(176)177-35-36-181-182-50-70(109(174)175)126-102(167)65(24-30-82(148)116-45-75(142)91(157)94(160)78(145)48-137)122-101(166)67(27-33-85(152)153)124-99(164)64(23-29-81(147)115-44-74(141)90(156)93(159)77(144)47-136)121-100(165)66(26-32-84(150)151)123-98(163)63(22-28-80(146)114-43-73(140)89(155)92(158)76(143)46-135)120-83(149)31-25-68(108(172)173)125-97(162)58-16-18-59(19-17-58)113-41-61-42-117-95-88(118-61)105(170)130-110(112)129-95/h14-21,42,49,52-55,60,63-68,70-79,87,89-94,113,135-137,139-145,155-160H,10-13,22-41,43-48,50-51H2,1-9H3,(H,114,146)(H,115,147)(H,116,148)(H,119,168)(H,120,149)(H,121,165)(H,122,166)(H,123,163)(H,124,164)(H,125,162)(H,126,167)(H,128,169)(H,131,161)(H,132,176)(H,150,151)(H,152,153)(H,172,173)(H,174,175)(H3,112,117,129,130,170)/t54-,55-,60+,63-,64-,65-,66-,67-,68-,70-,71+,72+,73-,74-,75-,76+,77+,78+,79+,87-,89+,90+,91+,92+,93+,94+/m0/s1

InChIKey

QCQJJEGKYZWNPO-DRGNVCQDSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N(COC(=O)CC(C)C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)O)C[C@H](C)C(=O)NNC(=O)OCCSSC[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)c3ccc(cc3)NCc4cnc5c(n4)c(=O)nc([nH]5)N)OC(=O)C)C(C)C)NC(=O)[C@H]6CCCCN6C