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Substance Name: N-Demethylvancomycin
RN: 91700-98-0
UNII: BP129IOC93
InChIKey: FGDOJVYPUSOORV-BKPBQXSSSA-N

Note

  • Isolated from Nocardia orientalis.

Molecular Formula

  • C65-H73-Cl2-N9-O24

Molecular Weight

  • 1435.24
 
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Names and Synonyms

Name of Substance

  • N-Demethylvancomycin

Synonym

  • UNII-BP129IOC93

Systematic Name

  • Vancomycin, 56-demethyl-

Registry Numbers

CAS Registry Number

  • 91700-98-0

FDA UNII

  • BP129IOC93

System Generated Number

  • 0091700980

Structure Descriptors

InChI

1S/C65H73Cl2N9O24/c1-5-22(2)44(69)58(88)75-48-50(82)25-7-10-36(31(66)13-25)96-38-15-27-16-39(54(38)100-64-55(53(85)52(84)40(21-77)98-64)99-42-20-65(4,70)56(86)23(3)95-42)97-37-11-8-26(14-32(37)67)51(83)49-62(92)74-47(63(93)94)30-17-28(78)18-35(80)43(30)29-12-24(6-9-34(29)79)45(59(89)76-49)73-60(90)46(27)72-57(87)33(19-41(68)81)71-61(48)91/h6-18,22-23,33,40,42,44-53,55-56,64,77-80,82-86H,5,19-21,69-70H2,1-4H3,(H2,68,81)(H,71,91)(H,72,87)(H,73,90)(H,74,92)(H,75,88)(H,76,89)(H,93,94)/t22?,23-,33-,40+,42-,44+,45+,46+,47-,48+,49-,50+,51+,52+,53-,55+,56+,64-,65-/m0/s1

InChIKey

FGDOJVYPUSOORV-BKPBQXSSSA-N

Smiles

C1[C@@]([C@H](O)[C@@H](O[C@H]1O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc1c2cc3cc1Oc1ccc(cc1Cl)[C@H]([C@H](C(N[C@H](C(=O)N[C@H]3C(N[C@H]1C(=O)N[C@@H]([C@@H](c3cc(c(O2)cc3)Cl)O)C(=O)N[C@@H](c2c(c3cc1ccc3O)c(cc(c2)O)O)C(=O)O)=O)CC(N)=O)=O)NC([C@@H]([C@@H](CC)C)N)=O)O)CO)O)O)C)(C)N