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Substance Name: Antibiotic A-40926 B1
RN: 110882-85-4
UNII: C70V7E56T3
InChIKey: IMGYVEMZPBHISV-PSDJNXLUSA-N

Molecular Formula

  • C83-H88-Cl2-N8-O29

Molecular Weight

  • 1732.5412
 
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Names and Synonyms

Name of Substance

  • Antibiotic A-40926 B1

Synonyms

  • Antibiotic A-40926 B1
  • Parvodicin C2
  • Ristomycin A aglycone, 5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxododecyl)amino)-beta-D-glucopyranuronosyl)-42-o-alpha-D-mannopyranosyl-N15-methyl-
  • UNII-C70V7E56T3

Registry Numbers

CAS Registry Number

  • 110882-85-4

FDA UNII

  • C70V7E56T3

System Generated Number

  • 0110882854

Structure Descriptors

InChI

1S/C83H88Cl2N8O29/c1-3-4-5-6-7-8-9-10-11-12-56(99)88-65-68(102)70(104)73(81(114)115)122-82(65)121-72-53-27-38-28-54(72)118-50-22-17-37(25-45(50)84)66(100)64-79(111)92-63(80(112)113)43-29-39(95)30-52(119-83-71(105)69(103)67(101)55(33-94)120-83)57(43)42-24-35(15-20-47(42)96)60(76(108)93-64)89-77(109)61(38)90-78(110)62-44-31-41(32-49(98)58(44)85)117-51-26-36(16-21-48(51)97)59(86-2)75(107)87-46(74(106)91-62)23-34-13-18-40(116-53)19-14-34/h13-22,24-32,46,55,59-71,73,82-83,86,94-98,100-105H,3-12,23,33H2,1-2H3,(H,87,107)(H,88,99)(H,89,109)(H,90,110)(H,91,106)(H,92,111)(H,93,108)(H,112,113)(H,114,115)/t46-,55-,59-,60-,61-,62+,63+,64+,65-,66-,67-,68-,69+,70+,71+,73+,82-,83+/m1/s1

InChIKey

IMGYVEMZPBHISV-PSDJNXLUSA-N

Smiles

CCCCCCCCCCCC(=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)NC)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