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Substance Name: Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-26-((((1,1'-biphenyl)-4-ylmethyl)amino)carbonyl)-26-decarboxy-19-dechloro-,(4''R)-
RN: 562105-14-0
InChIKey: FTKLBNQSIWHLQN-NFIDBZSRSA-N

Molecular Formula

  • C86-H100-Cl-N11-O25

Molecular Weight

  • 1723.241
 
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Names and Synonyms

  • Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-26-((((1,1'-biphenyl)-4-ylmethyl)amino)carbonyl)-26-decarboxy-19-dechloro-,(4''R)-

Registry Numbers

CAS Registry Number

  • 562105-14-0

System Generated Number

  • 0562105140

Structure Descriptors

InChI

1S/C86H100ClN11O25/c1-37(2)25-52(91-7)77(109)97-67-69(104)45-20-24-56(51(87)27-45)119-58-29-46-28-57(73(58)123-84-74(71(106)70(105)59(36-99)120-84)122-62-34-86(6,90)76(108)39(4)117-62)118-48-21-17-43(18-22-48)72(121-61-33-85(5,89)75(107)38(3)116-61)68-83(115)96-66(79(111)92-35-40-13-15-42(16-14-40)41-11-9-8-10-12-41)50-30-47(100)31-55(102)63(50)49-26-44(19-23-54(49)101)64(80(112)98-68)95-81(113)65(46)94-78(110)53(32-60(88)103)93-82(67)114/h8-24,26-31,37-39,52-53,59,61-62,64-72,74-76,84,91,99-102,104-108H,25,32-36,89-90H2,1-7H3,(H2,88,103)(H,92,111)(H,93,114)(H,94,110)(H,95,113)(H,96,115)(H,97,109)(H,98,112)/t38-,39-,52+,53-,59+,61-,62-,64+,65+,66-,67+,68-,69?,70+,71-,72+,74+,75-,76+,84-,85-,86-/m0/s1

InChIKey

FTKLBNQSIWHLQN-NFIDBZSRSA-N

Smiles

C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@@H]2c3ccc(cc3)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(cc8Cl)C([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)NCc1ccc(cc1)c1ccccc1)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)(C)N)O