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Substance Name: Eremomycin deriv.
RN: 410077-94-0
InChIKey: XRBKNTXSBQXXGW-GFQXXHTISA-N

Molecular Formula

  • C87-H101-Cl2-N11-O26

Molecular Weight

  • 1787.7119
 
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Names and Synonyms

Results Name

  • Eremomycin deriv.

Synonym

  • Eremomycin deriv.

Systematic Name

  • Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-29-(((4'-chloro(1,1'-biphenyl)-4-yl)methyl)amino)methyl)-19-dechloro-,(4''R)-

Registry Numbers

CAS Registry Number

  • 410077-94-0

System Generated Number

  • 0410077940

Structure Descriptors

InChI

1S/C87H101Cl2N11O26/c1-36(2)24-52(93-7)78(111)99-67-69(105)44-17-23-56(51(89)26-44)122-58-28-45-27-57(74(58)126-85-75(72(108)71(107)59(35-101)123-85)125-62-32-87(6,92)77(110)38(4)120-62)121-47-20-14-42(15-21-47)73(124-61-31-86(5,91)76(109)37(3)119-61)68-83(116)98-66(84(117)118)49-29-55(103)50(34-94-33-39-8-10-40(11-9-39)41-12-18-46(88)19-13-41)70(106)63(49)48-25-43(16-22-54(48)102)64(80(113)100-68)97-81(114)65(45)96-79(112)53(30-60(90)104)95-82(67)115/h8-23,25-29,36-38,52-53,59,61-62,64-69,71-73,75-77,85,93-94,101-103,105-110H,24,30-35,91-92H2,1-7H3,(H2,90,104)(H,95,115)(H,96,112)(H,97,114)(H,98,116)(H,99,111)(H,100,113)(H,117,118)/t37-,38-,52+,53-,59+,61-,62-,64+,65+,66-,67+,68-,69+,71+,72-,73+,75+,76-,77-,85?,86-,87-/m0/s1

InChIKey

XRBKNTXSBQXXGW-GFQXXHTISA-N

Smiles

C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@@H]2c3ccc(cc3)Oc4cc5cc(c4OC6[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(cc8Cl)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]9c1ccc(c(c1)-c1c(cc(c(c1O)CNCc1ccc(cc1)c1ccc(cc1)Cl)O)[C@H](NC(=O)[C@H]2NC9=O)C(=O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)(C)N)O