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Substance Name: 13-Aminopradimicin A
RN: 120126-88-7
InChIKey: DUULFLBHWGDHMO-CXAJEMKSSA-N

Molecular Formula

  • C40-H45-N3-O17

Molecular Weight

  • 839.7995
 
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Names and Synonyms

Results Name

  • 13-Aminopradimicin A

Synonym

  • Pradimicin A, 13-imino-

Systematic Name

  • D-Alanine, N-((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-13-imino-11-methoxy-3-methyl-8-oxobenz(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 120126-88-7

System Generated Number

  • 0120126887

Structure Descriptors

InChI

1S/C40H45N3O17/c1-11-6-18-24(31(49)21(11)37(53)43-12(2)38(54)55)23-16(9-17-25(32(23)50)26(41)15-7-14(56-5)8-19(44)22(15)28(17)46)29(47)35(18)59-40-34(52)36(27(42-4)13(3)58-40)60-39-33(51)30(48)20(45)10-57-39/h6-9,12-13,20,27,29-30,33-36,39-42,44-45,47-52H,10H2,1-5H3,(H,43,53)(H,54,55)/t12-,13+,20+,27-,29+,30-,33+,34+,35-,36-,39-,40-/m0/s1

InChIKey

DUULFLBHWGDHMO-CXAJEMKSSA-N

Smiles

Cc1cc2c(c(c1C(=O)N[C@@H](C)C(=O)O)O)-c3c(cc4c(c3O)C(=N)c5cc(cc(c5C4=O)O)OC)[C@H]([C@H]2O[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