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Substance Name: EC-0436
RN: 1096413-47-6
UNII: 6GO6UQ914E
InChIKey: XFNWCSFXCDIELX-MHLXPARFSA-N

Molecular Formula

  • C103-H150-N22-O47-S3

Molecular Weight

  • 2544.623
 
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Names and Synonyms

Name of Substance

  • EC-0436

Synonyms

  • EC-0436
  • UNII-6GO6UQ914E

Registry Numbers

CAS Registry Number

  • 1096413-47-6

FDA UNII

  • 6GO6UQ914E

System Generated Number

  • 1096413476

Structure Descriptors

InChI

1S/C103H150N22O47S3/c1-9-13-70(143)171-42-125(99(164)71(44(5)10-2)116-92(158)59-14-11-12-25-124(59)8)60(43(3)4)33-65(172-46(7)130)98-114-57(40-173-98)91(157)108-50(29-47-15-21-52(131)22-16-47)28-45(6)86(152)122-123-103(169)170-26-27-174-175-41-58(101(167)168)113-96(162)75(84(151)80(147)64(135)39-129)119-90(156)56(32-69(141)142)112-95(161)74(83(150)79(146)63(134)38-128)118-89(155)55(31-68(139)140)111-94(160)73(82(149)78(145)62(133)37-127)117-88(154)54(30-67(137)138)110-93(159)72(81(148)77(144)61(132)36-126)115-66(136)24-23-53(100(165)166)109-87(153)48-17-19-49(20-18-48)105-34-51-35-106-85-76(107-51)97(163)121-102(104)120-85/h15-22,35,40,43-45,50,53-56,58-65,71-75,77-84,105,126-129,131-135,144-151H,9-14,23-34,36-39,41-42H2,1-8H3,(H,108,157)(H,109,153)(H,110,159)(H,111,160)(H,112,161)(H,113,162)(H,115,136)(H,116,158)(H,117,154)(H,118,155)(H,119,156)(H,122,152)(H,123,169)(H,137,138)(H,139,140)(H,141,142)(H,165,166)(H,167,168)(H3,104,106,120,121,163)/t44-,45-,50+,53-,54-,55-,56-,58+,59+,60+,61+,62+,63+,64+,65+,71-,72-,73-,74-,75-,77+,78+,79+,80+,81+,82+,83+,84+/m0/s1

InChIKey

XFNWCSFXCDIELX-MHLXPARFSA-N

Smiles

CCCC(=O)OCN([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]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@H]([C@@H]([C@@H](CO)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)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]6CCCCN6C