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Substance Name: 4-Bromopradimicin A
RN: 153619-27-3
InChIKey: ANBZRBNGTMXCMJ-KOIICSSNSA-N

Molecular Formula

  • C40-H43-Br-N2-O18

Molecular Weight

  • 919.6797
 
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Names and Synonyms

Results Name

  • 4-Bromopradimicin A

Synonym

  • 4-Bromopradimicin A

Systematic Name

  • D-Alanine, N-((4-bromo-5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 153619-27-3

System Generated Number

  • 0153619273

Structure Descriptors

InChI

1S/C40H43BrN2O18/c1-10-19(37(54)43-11(2)38(55)56)31(50)23-21-15(8-16-22(32(21)51)28(47)14-6-13(57-5)7-17(44)20(14)27(16)46)29(48)35(24(23)25(10)41)60-40-34(53)36(26(42-4)12(3)59-40)61-39-33(52)30(49)18(45)9-58-39/h6-8,11-12,18,26,29-30,33-36,39-40,42,44-45,48-53H,9H2,1-5H3,(H,43,54)(H,55,56)/t11-,12-,18-,26+,29+,30+,33-,34-,35+,36+,39+,40+/m1/s1

InChIKey

ANBZRBNGTMXCMJ-KOIICSSNSA-N

Smiles

Cc1c(c(c-2c(c1Br)[C@@H]([C@H](c3c2c(c4c(c3)C(=O)c5c(cc(cc5O)OC)C4=O)O)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)NC)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O)C(=O)N[C@H](C)C(=O)O