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Substance Name: Antibiotic A-40926 B2
RN: 871088-55-0
UNII: 6KX5KH4647
InChIKey: OJESFQPLDXJICV-FLAGIKDOSA-N

Molecular Formula

  • C84-H90-Cl2-N8-O29

Molecular Weight

  • 1746.568
 
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Names and Synonyms

Name of Substance

  • Antibiotic A-40926 B2

Synonyms

  • Antibiotic A-40926 B2
  • Ristomycin A aglycone, 5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((10-methyl-1-oxoundecyl)amino)-beta-D-glucopyranuronosyl)-42-o-alpha-D-mannopyranosyl-N15,N15-dimethyl-
  • UNII-6KX5KH4647

Registry Numbers

CAS Registry Number

  • 871088-55-0

FDA UNII

  • 6KX5KH4647

System Generated Number

  • 0871088550

Structure Descriptors

InChI

1S/C84H90Cl2N8O29/c1-34(2)11-9-7-5-6-8-10-12-57(100)88-65-69(103)71(105)74(82(115)116)123-83(65)122-73-54-27-39-28-55(73)119-51-22-17-38(25-46(51)85)67(101)64-79(111)92-63(81(113)114)44-29-40(96)30-53(120-84-72(106)70(104)68(102)56(33-95)121-84)58(44)43-24-36(15-20-48(43)97)60(76(108)93-64)89-77(109)61(39)90-78(110)62-45-31-42(32-50(99)59(45)86)118-52-26-37(16-21-49(52)98)66(94(3)4)80(112)87-47(75(107)91-62)23-35-13-18-41(117-54)19-14-35/h13-22,24-32,34,47,56,60-72,74,83-84,95-99,101-106H,5-12,23,33H2,1-4H3,(H,87,112)(H,88,100)(H,89,109)(H,90,110)(H,91,107)(H,92,111)(H,93,108)(H,113,114)(H,115,116)/t47-,56-,60-,61-,62+,63+,64+,65-,66-,67-,68-,69-,70+,71+,72+,74+,83-,84+/m1/s1

InChIKey

OJESFQPLDXJICV-FLAGIKDOSA-N

Smiles

CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c3cc4cc2Oc5ccc(cc5Cl)[C@H]([C@H]6C(=O)N[C@@H](c7cc(cc(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9c1cc(cc(c1Cl)O)Oc1cc(ccc1O)[C@H](C(=O)N[C@H](Cc1ccc(cc1)O3)C(=O)N9)N(C)C)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O)C(=O)O)O)O