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Substance Name: Pradimicin D
RN: 128162-62-9
InChIKey: LLWHVGMGXRFQFH-PHMCRVAQSA-N

Molecular Formula

  • C39-H42-N2-O19

Molecular Weight

  • 842.7558
 
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Names and Synonyms

Results Name

  • Pradimicin D

Synonym

  • Pradimicin D

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 128162-62-9

System Generated Number

  • 0128162629

Structure Descriptors

InChI

1S/C39H42N2O19/c1-11-4-16-24(31(51)21(11)37(55)41-8-20(45)46)23-14(7-15-25(32(23)52)28(48)13-5-12(56-3)6-17(43)22(13)27(15)47)29(49)35(16)59-39-34(54)36(26(40-2)19(9-42)58-39)60-38-33(53)30(50)18(44)10-57-38/h4-7,18-19,26,29-30,33-36,38-40,42-44,49-54H,8-10H2,1-3H3,(H,41,55)(H,45,46)/t18-,19-,26+,29+,30+,33-,34-,35+,36+,38+,39+/m1/s1

InChIKey

LLWHVGMGXRFQFH-PHMCRVAQSA-N

Smiles

Cc1cc2c(c(c1C(=O)NCC(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OC)[C@@H]([C@H]2O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)NC)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O