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Substance Name: Orienticin B
RN: 111073-19-9
UNII: Y19P95P85D
InChIKey: VUYIFQIEISVCHE-PJLQRIENSA-N

Note

  • From Nocardia orientalis.

Molecular Formula

  • C72-H86-Cl-N9-O27

Molecular Weight

  • 1544.9604
 
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Names and Synonyms

Name of Substance

  • Orienticin B

Synonym

  • UNII-Y19P95P85D

Systematic Name

  • Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-3''-deamino-10-dechloro-3''-demethyl-3''-hydroxy-, (3''S,4''R)-

Registry Numbers

CAS Registry Number

  • 111073-19-9

FDA UNII

  • Y19P95P85D

System Generated Number

  • 0111073199

Structure Descriptors

InChI

1S/C72H86ClN9O27/c1-26(2)15-38(76-6)64(94)81-54-57(90)29-7-11-34(12-8-29)104-44-18-32-19-45(61(44)109-71-62(59(92)58(91)46(25-83)106-71)107-48-23-42(87)56(89)27(3)102-48)105-43-14-10-31(17-37(43)73)60(108-49-24-72(5,75)63(93)28(4)103-49)55-69(99)80-53(70(100)101)36-20-33(84)21-41(86)50(36)35-16-30(9-13-40(35)85)51(66(96)82-55)79-67(97)52(32)78-65(95)39(22-47(74)88)77-68(54)98/h7-14,16-21,26-28,38-39,42,46,48-49,51-60,62-63,71,76,83-87,89-93H,15,22-25,75H2,1-6H3,(H2,74,88)(H,77,98)(H,78,95)(H,79,97)(H,80,99)(H,81,94)(H,82,96)(H,100,101)/t27-,28-,38+,39-,42-,46+,48-,49-,51+,52+,53-,54+,55-,56-,57+,58+,59-,60+,62+,63-,71-,72-/m0/s1

InChIKey

VUYIFQIEISVCHE-PJLQRIENSA-N

Smiles

CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]6C[C@](C)(N)[C@@H](O)[C@H](C)O6)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)c8ccc(O)c(c8)c9c(O)cc(O)cc9[C@H](NC7=O)C(=O)O)c3O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O[C@H]%11C[C@H](O)[C@@H](O)[C@H](C)O%11)cc2