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Substance Name: Vancomycin hexapeptide
RN: 115236-65-2
InChIKey: SSCUQZZTTLVMFJ-LCEIAXBHSA-N

Molecular Formula

  • C59-H62-Cl2-N8-O23

Molecular Weight

  • 1322.08
 
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Names and Synonyms

Results Name

  • Vancomycin hexapeptide

Synonym

  • Vancomycin hexapeptide

Systematic Name

  • Vancomycin, 49-de(4-methyl-2-(methylamino)-1-oxopentyl)-

Registry Numbers

CAS Registry Number

  • 115236-65-2

System Generated Number

  • 0115236652

Structure Descriptors

InChI

1S/C59H62Cl2N8O23/c1-19-51(79)59(2,64)17-38(87-19)91-50-48(78)47(77)36(18-70)90-58(50)92-49-34-12-23-13-35(49)89-33-8-5-22(11-28(33)61)46(76)44-56(84)68-43(57(85)86)26-14-24(71)15-31(73)39(26)25-9-20(3-6-30(25)72)41(54(82)69-44)67-55(83)42(23)66-52(80)29(16-37(62)74)65-53(81)40(63)45(75)21-4-7-32(88-34)27(60)10-21/h3-15,19,29,36,38,40-48,50-51,58,70-73,75-79H,16-18,63-64H2,1-2H3,(H2,62,74)(H,65,81)(H,66,80)(H,67,83)(H,68,84)(H,69,82)(H,85,86)/t19-,29-,36+,38-,40+,41+,42+,43-,44-,45+,46+,47+,48-,50+,51+,58-,59-/m0/s1

InChIKey

SSCUQZZTTLVMFJ-LCEIAXBHSA-N

Smiles

O1[C@@H](Oc2c3Oc4ccc([C@H]([C@H](C(N[C@H](C(N[C@@H]5c(c3)cc2Oc2ccc(cc2Cl)[C@@H](O)[C@@H]2NC([C@H](NC5=O)c3ccc(c(c3)c3c(cc(cc3O)O)[C@@H](C(=O)O)NC2=O)O)=O)=O)CC(N)=O)=O)N)O)cc4Cl)[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O[C@H]1C[C@@]([C@@H]([C@@H](O1)C)O)(N)C