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Substance Name: Eremomycin derivative
RN: 193685-70-0
InChIKey: JTDAROZMRNESRQ-KEEUIRLWSA-N

Molecular Formula

  • C84-H112-Cl-N11-O26

Molecular Weight

  • 1727.3128
 
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Names and Synonyms

Results Name

  • Eremomycin derivative

Systematic Name

  • Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-19-dechloro-29-((decylamino)methyl)-

Registry Numbers

CAS Registry Number

  • 193685-70-0

System Generated Number

  • 0193685700

Structure Descriptors

InChI

1S/C84H112ClN11O26/c1-9-10-11-12-13-14-15-16-25-90-35-47-52(99)31-46-60(67(47)102)45-27-41(19-23-51(45)98)61-77(109)96-65(80(112)94-63(46)81(113)114)70(120-58-33-83(6,87)73(105)38(4)115-58)40-17-21-44(22-18-40)117-54-29-43-30-55(71(54)122-82-72(69(104)68(103)56(36-97)119-82)121-59-34-84(7,88)74(106)39(5)116-59)118-53-24-20-42(28-48(53)85)66(101)64(95-75(107)49(89-8)26-37(2)3)79(111)91-50(32-57(86)100)76(108)92-62(43)78(110)93-61/h17-24,27-31,37-39,49-50,56,58-59,61-66,68-70,72-74,82,89-90,97-99,101-106H,9-16,25-26,32-36,87-88H2,1-8H3,(H2,86,100)(H,91,111)(H,92,108)(H,93,110)(H,94,112)(H,95,107)(H,96,109)(H,113,114)/t38-,39-,49+,50-,56+,58-,59-,61+,62+,63-,64+,65-,66+,68+,69-,70+,72+,73-,74-,82?,83-,84-/m0/s1

InChIKey

JTDAROZMRNESRQ-KEEUIRLWSA-N

Smiles

CCCCCCCCCCNCc1c(cc2c(c1O)-c3cc(ccc3O)[C@@H]4C(=O)N[C@@H]([C@@H](c5ccc(cc5)Oc6cc7cc(c6OC8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9C[C@]([C@H]([C@@H](O9)C)O)(C)N)Oc1ccc(cc1Cl)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]7C(=O)N4)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)C(=O)N[C@@H]2C(=O)O)O