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Substance Name: Orienticin D
RN: 112848-46-1
UNII: B3ST8Q2F3H
InChIKey: BTCGMSGGRYTEHK-QKUOSJMUSA-N

Molecular Formula

  • C74-H91-Cl-N10-O26

Molecular Weight

  • 1572.0299
 
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Names and Synonyms

Name of Substance

  • Orienticin D

Synonyms

  • Orienticin D
  • Orienticine D
  • UNII-B3ST8Q2F3H
  • Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-10-dechloro-56-methyl-, (4''R)-

Registry Numbers

CAS Registry Number

  • 112848-46-1

FDA UNII

  • B3ST8Q2F3H

System Generated Number

  • 0112848461

Structure Descriptors

InChI

1S/C74H91ClN10O26/c1-28(2)17-41(85(7)8)66(97)83-55-57(91)31-9-13-36(14-10-31)106-45-20-34-21-46(61(45)111-72-62(59(93)58(92)47(27-86)108-72)110-50-26-74(6,78)64(95)30(4)105-50)107-44-16-12-33(19-39(44)75)60(109-49-25-73(5,77)63(94)29(3)104-49)56-70(101)82-54(71(102)103)38-22-35(87)23-43(89)51(38)37-18-32(11-15-42(37)88)52(67(98)84-56)81-68(99)53(34)80-65(96)40(24-48(76)90)79-69(55)100/h9-16,18-23,28-30,40-41,47,49-50,52-60,62-64,72,86-89,91-95H,17,24-27,77-78H2,1-8H3,(H2,76,90)(H,79,100)(H,80,96)(H,81,99)(H,82,101)(H,83,97)(H,84,98)(H,102,103)/t29-,30-,40-,41+,47+,49-,50-,52+,53+,54-,55+,56-,57+,58+,59-,60+,62+,63-,64-,72-,73-,74-/m0/s1

InChIKey

BTCGMSGGRYTEHK-QKUOSJMUSA-N

Smiles

C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@@H]2c3ccc(c(c3)Cl)Oc4cc5cc(c4O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7C[C@]([C@H]([C@@H](O7)C)O)(C)N)Oc8ccc(cc8)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]9c1ccc(c(c1)-c1c(cc(cc1O)O)[C@H](NC(=O)[C@H]2NC9=O)C(=O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)N(C)C)O)(C)N)O