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Substance Name: Pradimicin L
RN: 142062-87-1
InChIKey: XBOFKRSRRQVHGD-JBBRCQKFSA-N

Note

  • Isolated from Actinomadura verrucosospora.

Molecular Weight

  • 884.836
 
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Names and Synonyms

Name of Substance

  • Pradimicin L

Synonym

  • N-((5-O-(4,6-Dideoxy-4-(methylamino)-3-O-(beta-D-glucopyranosyl)-beta-D-galactopyranosyl)-5,6,8,13-tetrahydro-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacene-2-yl)carbonyl)-D-alanine

Systematic Name

  • D-Alanine, N-((5-((4,6-dideoxy-3-O-beta-D-glucopyranosyl-4-(methylamino)-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

  • 142062-87-1

System Generated Number

  • 0142062871

Structure Descriptors

InChI

1S/C42H48N2O19/c1-12-7-19-25(32(51)22(12)39(56)44-13(2)40(57)59-6)24-17(10-18-26(33(24)52)29(48)16-8-15(58-5)9-20(46)23(16)28(18)47)30(49)37(19)62-42-36(55)38(27(43-4)14(3)60-42)63-41-35(54)34(53)31(50)21(11-45)61-41/h7-10,13-14,21,27,30-31,34-38,41-43,45-46,49-55H,11H2,1-6H3,(H,44,56)/t13-,14+,21-,27-,30+,31-,34+,35-,36+,37+,38-,41+,42-/m1/s1

InChIKey

XBOFKRSRRQVHGD-JBBRCQKFSA-N

Smiles

O1[C@H]([C@@H]([C@H]([C@@H](O)[C@H]1CO)O)O)O[C@H]1[C@@H]([C@@H](O[C@@H]2[C@H](c3cc4c(C(c5cc(OC)cc(c5C4=O)O)=O)c(c3c3c2cc(c(c3O)C(N[C@@H](C(=O)OC)C)=O)C)O)O)O[C@H]([C@H]1NC)C)O