Efrotomycin

CAS Registry Number®

56592-32-6

CAS Name

Efrotomycin

Molecular Formula

C59H88N2O20

Molecular Mass

1145.33

Cite this Page

Efrotomycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56592-32-6 (retrieved 2024-11-21) (CAS RN: 56592-32-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C59H88N2O20/c1-15-17-19-27-39-58(8,9)53(80-56-45(67)50(74-13)49(35(7)76-56)79-57-51(75-14)44(66)48(73-12)34(6)77-57)52(68)59(71,81-39)36(16-2)54(69)60-29-23-22-25-32(4)46(72-11)33(5)47-43(65)42(64)38(78-47)26-21-18-20-24-31(3)41(63)40-37(62)28-30-61(10)55(40)70/h15,17-28,30,33-36,38-39,42-53,56-57,62,64-68,71H,16,29H2,1-14H3,(H,60,69)/b17-15-,20-18+,23-22+,26-21+,27-19+,31-24+,32-25+/t33-,34+,35-,36-,38-,39+,42+,43+,44-,45-,46-,47+,48+,49-,50+,51-,52-,53+,56+,57+,59-/m1/s1

InChIKey

InChIKey=ASOJLQIBBYOFDE-SBHXXGSWSA-N

SMILES

[C@H](C(NC/C=C/C=C(/[C@H]([C@@H](C)[C@@]1(O[C@H](/C=C/C=C/C=C(/C(=O)C=2C(=O)N(C)C=CC2O)\C)[C@H](O)[C@@H]1O)[H])OC)\C)=O)(CC)[C@]3(O)[C@H](O)[C@H](O[C@H]4[C@H](O)[C@H](OC)[C@H](O[C@H]5[C@H](OC)[C@H](O)[C@@H](OC)[C@H](C)O5)[C@@H](C)O4)C(C)(C)[C@H](/C=C/C=C\C)O3

Canonical SMILES

O=C(C(=CC=CC=CC1OC(C(O)C1O)C(C)C(OC)C(=CC=CCNC(=O)C(CC)C2(O)OC(C=CC=CC)C(C)(C)C(OC3OC(C)C(OC4OC(C)C(OC)C(O)C4OC)C(OC)C3O)C2O)C)C)C=5C(=O)N(C=CC5O)C

Other Names for this Substance

  • 2H-Pyran-2-acetamide, 4-[[6-deoxy-4-O-(6-deoxy-2,4-di-O-methyl-α-L-mannopyranosyl)-3-O-methyl-β-D-allopyranosyl]oxy]-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-5-[(1E,3E,5E)-7-(1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-3,4-dihydroxy-2-furanyl]-6-methoxy-5-methyl-2,4-octadien-1-yl]-α-ethyltetrahydro-2,3-dihydroxy-5,5-dimethyl-6-(1E,3Z)-1,3-pentadien-1-yl-, (αS,2R,3R,4R,6S)-
  • Mocimycin, 31-O-[6-deoxy-4-O-(6-deoxy-2,4-di-O-methyl-α-L-mannopyranosyl)-3-O-methyl-β-D-allopyranosyl]-1-methyl-
  • 2H-Pyran-2-acetamide, 4-[[6-deoxy-4-O-(6-deoxy-2,4-di-O-methyl-α-L-mannopyranosyl)-3-O-methyl-β-D-allopyranosyl]oxy]-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-5-[(1E,3E,5E)-7-(1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrienyl]tetrahydro-3,4-dihydroxy-2-furanyl]-6-methoxy-5-methyl-2,4-octadienyl]-α-ethyltetrahydro-2,3-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadienyl]-, (αS,2R,3R,4R,6S)-
  • (αS,2R,3R,4R,6S)-4-[[6-Deoxy-4-O-(6-deoxy-2,4-di-O-methyl-α-L-mannopyranosyl)-3-O-methyl-β-D-allopyranosyl]oxy]-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-5-[(1E,3E,5E)-7-(1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-3,4-dihydroxy-2-furanyl]-6-methoxy-5-methyl-2,4-octadien-1-yl]-α-ethyltetrahydro-2,3-dihydroxy-5,5-dimethyl-6-(1E,3Z)-1,3-pentadien-1-yl-2H-pyran-2-acetamide
  • Antibiotic FR 02A

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Deleted or Replaced CAS Registry Numbers

61288-15-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration