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Substance Name: 29-(2-Admantyl)methyleremomycin aglycone hexapeptide
RN: 562105-25-3
InChIKey: VADYNDIXZGALFR-ORAWRPTHSA-N

Molecular Formulas

  • C57-H56-Cl-N7-O16
  • C57-H57-Cl-N8-O16

Molecular Weight

  • 1130.5554
 
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Names and Synonyms

Results Name

  • 29-(2-Admantyl)methyleremomycin aglycone hexapeptide

Systematic Names

  • Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl-
  • Vancomycin, 44-O-de(2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-.alpha.-L-lyxo-hexopyranosyl)-.beta.-D-glucopyranosyl)-19-dechloro-49-de(4-methyl-2-(methylamino)-1-oxopentyl)-29-(tricyclo(3.3.1.13,7)dec-2-ylmethyl)-

Registry Numbers

CAS Registry Number

  • 562105-25-3

System Generated Number

  • 0562105253

Structure Descriptors

InChI

1S/C57H56ClN7O16/c58-34-15-25-4-8-38(34)81-40-17-28-16-39(51(40)72)80-29-5-1-23(2-6-29)49(70)47-56(77)64-46(57(78)79)33-19-37(67)32(18-30-26-10-21-9-22(12-26)13-27(30)11-21)50(71)42(33)31-14-24(3-7-36(31)66)44(54(75)65-47)63-55(76)45(28)62-52(73)35(20-41(59)68)61-53(74)43(60)48(25)69/h1-8,14-17,19,21-22,26-27,30,35,43-49,66-67,69-72H,9-13,18,20,60H2,(H2,59,68)(H,61,74)(H,62,73)(H,63,76)(H,64,77)(H,65,75)(H,78,79)/t21?,22?,26?,27?,30?,35-,43+,44+,45+,46-,47-,48+,49+/m0/s1

InChIKey

VADYNDIXZGALFR-ORAWRPTHSA-N

Smiles

c1cc2ccc1[C@H]([C@H]3C(=O)N[C@@H](c4cc(c(c(c4-c5cc(ccc5O)[C@H](C(=O)N3)NC(=O)[C@H]6c7cc(c(c(c7)Oc8ccc(cc8Cl)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)CC(=O)N)N)O)O)O2)O)CC9C1CC2CC(C1)CC9C2)O)C(=O)O)O