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Substance Name: EP-42675
RN: 343776-67-0
UNII: DUM42I2BVP
InChIKey: PHQLOPVSTIOMFO-QDXMQKLKSA-N

Molecular Formula

  • C79-H125-N7-O56-S7.8H-Na

Molecular Weight

  • 2477.2315
 
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Names and Synonyms

Name of Substance

  • EP-42675

Synonyms

  • (2S,3S,4S,5R,6R)-3-((2R,3R,4S,5R,6R)-5-(2-(2-(2-(2-(4-(((3S)-4-(((1R)-1-((4-Carbamimidoylphenyl)methyl)-2-oxo-2-(1-piperidyl)ethyl)amino)-3-((4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino)-4-oxo-butanoyl)amino)butanoylamino)ethoxy)ethoxy)ethoxy)etho
  • alpha-D-Glucopyranoside, methyl O-4-O-((20S,23R)-23-((4-(aminoiminomethyl)phenyl)methyl)-20-(((4-methoxy-2,3,6-trimethylphenyl)sulfonyl)amino)-13,18,21,24-tetraoxo-24-(1-piperidinyl)-3,6,9-trioxa-12,17,22-triazatetracos-1-yl)-2,3-di-O-methyl-6-o-su
  • EP-42675
  • ORG-42675
  • UNII-DUM42I2BVP

Registry Numbers

CAS Registry Number

  • 343776-67-0

FDA UNII

  • DUM42I2BVP

System Generated Number

  • 0343776670

Structure Descriptors

InChI

1S/C79H125N7O56S7.8Na.8H/c1-39-33-46(115-4)40(2)41(3)69(39)143(95,96)85-44(71(89)84-45(72(90)86-24-14-13-15-25-86)34-42-18-20-43(21-19-42)70(80)81)35-51(88)82-22-16-17-50(87)83-23-26-124-27-28-125-29-30-126-31-32-127-52-47(36-128-144(97,98)99)132-76(64(120-9)55(52)116-5)136-59-57(118-7)66(122-11)78(139-62(59)73(91)92)135-54-49(38-130-146(103,104)105)133-79(68(142-149(112,113)114)61(54)140-147(106,107)108)137-60-58(119-8)65(121-10)77(138-63(60)74(93)94)134-53-48(37-129-145(100,101)102)131-75(123-12)67(56(53)117-6)141-148(109,110)111;;;;;;;;;;;;;;;;/h18-21,33,44-45,47-49,52-68,75-79,85H,13-17,22-32,34-38H2,1-12H3,(H3,80,81)(H,82,88)(H,83,87)(H,84,89)(H,91,92)(H,93,94)(H,97,98,99)(H,100,101,102)(H,103,104,105)(H,106,107,108)(H,109,110,111)(H,112,113,114);;;;;;;;;;;;;;;;/t44-,45+,47+,48+,49+,52+,53+,54+,55-,56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,75-,76+,77+,78+,79+;;;;;;;;;;;;;;;;/m0................/s1

InChIKey

PHQLOPVSTIOMFO-QDXMQKLKSA-N

Smiles

[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].CO[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](OCCOCCOCCOCCNC(=O)CCCNC(=O)C[C@H](NS(=O)(=O)c6c(C)cc(OC)c(C)c6C)C(=O)N[C@H](Cc7ccc(cc7)C(=N)N)C(=O)N8CCCCC8)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)C(=O)O)[C@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)[C@H](OC)[C@H]2OC)C(=O)O)[C@H](OC)[C@H]1OS(=O)(=O)O