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Substance Name: Eremomycin aglycone, 26-methylamino carbonyl-, 29-(1-biphenyl-4-ylmethyl-4-piperazinyl)methyl-
RN: 562105-24-2
InChIKey: VEXBYERNVCHIIZ-XJHBYDRLSA-N

Molecular Formula

  • C72-H76-Cl-N11-O16

Molecular Weight

  • 1386.9064
 
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Names and Synonyms

Results Name

  • Eremomycin aglycone, 26-methylamino carbonyl-, 29-(1-biphenyl-4-ylmethyl-4-piperazinyl)methyl-

Synonym

  • Eremomycin aglycone, 26-methylamino carbonyl-, 29-(1-biphenyl-4-ylmethyl-4-piperazinyl)methyl-

Systematic Name

  • Vancomycin, 29-((4-((1,1'-biphenyl)-4-ylmethyl)-1-piperazinyl)methyl)-44-O-de(2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl)-26-decarboxy-19-dechloro-26-((methylamino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 562105-24-2

System Generated Number

  • 0562105242

Structure Descriptors

InChI

1S/C72H76ClN11O16/c1-35(2)26-48(75-3)66(92)81-61-63(89)41-17-21-52(47(73)28-41)100-54-30-42-29-53(65(54)91)99-43-18-14-39(15-19-43)62(88)60-72(98)80-59(68(94)76-4)45-31-51(86)46(34-84-24-22-83(23-25-84)33-36-10-12-38(13-11-36)37-8-6-5-7-9-37)64(90)56(45)44-27-40(16-20-50(44)85)57(69(95)82-60)79-70(96)58(42)78-67(93)49(32-55(74)87)77-71(61)97/h5-21,27-31,35,48-49,57-63,75,85-86,88-91H,22-26,32-34H2,1-4H3,(H2,74,87)(H,76,94)(H,77,97)(H,78,93)(H,79,96)(H,80,98)(H,81,92)(H,82,95)/t48-,49+,57-,58-,59+,60+,61-,62-,63-/m1/s1

InChIKey

VEXBYERNVCHIIZ-XJHBYDRLSA-N

Smiles

CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](c2ccc(c(c2)Cl)Oc3cc4cc(c3O)Oc5ccc(cc5)[C@H]([C@H]6C(=O)N[C@@H](c7cc(c(c(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)CN9CCN(CC9)Cc1ccc(cc1)c1ccccc1)O)C(=O)NC)O)O)NC