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Substance Name: Chloroorienticin D
RN: 118373-83-4
InChIKey: GXIYAZLYUMROIQ-UHFFFAOYSA-N

Note

  • Isolated from Amycolatosis orientalis.

Molecular Formula

  • C74-H90-Cl2-N10-O26

Molecular Weight

  • 1606.475
 
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Names and Synonyms

Name of Substance

  • Chloroorienticin D

Systematic Name

  • Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-56-methyl-

Registry Numbers

CAS Registry Number

  • 118373-83-4

System Generated Number

  • 0118373834

Structure Descriptors

InChI

1S/C74H90Cl2N10O26/c1-27(2)15-40(86(7)8)66(98)84-55-57(92)31-10-13-43(37(75)17-31)107-45-19-33-20-46(61(45)112-72-62(59(94)58(93)47(26-87)109-72)111-50-25-74(6,79)64(96)29(4)106-50)108-44-14-11-32(18-38(44)76)60(110-49-24-73(5,78)63(95)28(3)105-49)56-70(102)83-54(71(103)104)36-21-34(88)22-42(90)51(36)35-16-30(9-12-41(35)89)52(67(99)85-56)82-68(100)53(33)81-65(97)39(23-48(77)91)80-69(55)101/h9-14,16-22,27-29,39-40,47,49-50,52-60,62-64,72,87-90,92-96H,15,23-26,78-79H2,1-8H3,(H2,77,91)(H,80,101)(H,81,97)(H,82,100)(H,83,102)(H,84,98)(H,85,99)(H,103,104)

InChIKey

GXIYAZLYUMROIQ-UHFFFAOYSA-N

Smiles

CC1C(C(CC(O1)OC2c3ccc(c(c3)Cl)Oc4cc5cc(c4OC6C(C(C(C(O6)CO)O)O)OC7CC(C(C(O7)C)O)(C)N)Oc8ccc(cc8Cl)C(C(C(=O)NC(C(=O)NC5C(=O)NC9c1ccc(c(c1)-c1c(cc(cc1O)O)C(NC(=O)C2NC9=O)C(=O)O)O)CC(=O)N)NC(=O)C(CC(C)C)N(C)C)O)(C)N)O