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Substance Name: 26-Methylaminocarbonyleremomycin
RN: 174421-39-7
InChIKey: OUSASZQWCMJMTB-BSMDWCOLSA-N

Molecular Formula

  • C74-H92-Cl-N11-O25

Molecular Weight

  • 1571.0458
 
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Names and Synonyms

Results Name

  • 26-Methylaminocarbonyleremomycin

Synonym

  • Eremomycin, 26-methylamino carbonyl-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 174421-39-7

System Generated Number

  • 0174421397

Structure Descriptors

InChI

1S/C74H92ClN11O25/c1-28(2)17-40(79-7)65(97)85-55-57(92)33-12-16-44(39(75)19-33)107-46-21-34-20-45(61(46)111-72-62(59(94)58(93)47(27-87)108-72)110-50-26-74(6,78)64(96)30(4)105-50)106-36-13-9-31(10-14-36)60(109-49-25-73(5,77)63(95)29(3)104-49)56-71(103)84-54(67(99)80-8)38-22-35(88)23-43(90)51(38)37-18-32(11-15-42(37)89)52(68(100)86-56)83-69(101)53(34)82-66(98)41(24-48(76)91)81-70(55)102/h9-16,18-23,28-30,40-41,47,49-50,52-60,62-64,72,79,87-90,92-96H,17,24-27,77-78H2,1-8H3,(H2,76,91)(H,80,99)(H,81,102)(H,82,98)(H,83,101)(H,84,103)(H,85,97)(H,86,100)/t29-,30-,40+,41-,47+,49-,50-,52+,53+,54-,55+,56-,57+,58+,59-,60+,62+,63-,64-,72?,73-,74-/m0/s1

InChIKey

OUSASZQWCMJMTB-BSMDWCOLSA-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(cc1O)O)[C@H](NC(=O)[C@H]2NC9=O)C(=O)NC)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)(C)N)O