Scopafungin

CAS Registry Number®

11056-18-1
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CAS Name

Scopafungin

Molecular Formula

C59H103N3O18

Molecular Mass

1142.46

Cite this Page

Scopafungin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=11056-18-1 (retrieved 2024-05-18) (CAS RN: 11056-18-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C59H103N3O18/c1-34(18-14-12-10-11-13-17-25-62-58(60)61-9)26-38(5)55-37(4)19-15-16-20-45(64)39(6)49(68)28-42(63)27-43(78-54(74)32-53(72)73)29-44-30-51(70)56(75)59(77,80-44)33-52(71)36(3)22-23-46(65)40(7)50(69)31-48(67)35(2)21-24-47(66)41(8)57(76)79-55/h10-11,15-16,19-21,24,34-52,55-56,63-71,75,77H,12-14,17-18,22-23,25-33H2,1-9H3,(H,72,73)(H3,60,61,62)

InChIKey

InChIKey=VAYOSPAPALLOIO-UHFFFAOYSA-N

SMILES

OC12OC(CC(OC(CC(O)=O)=O)CC(O)CC(O)C(C)C(O)C=CC=CC(C)C(C(CC(CCCC=CCCCNC(NC)=N)C)C)OC(=O)C(C)C(O)C=CC(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)C1)CC(O)C2O

Canonical SMILES

O=C(O)CC(=O)OC1CC(O)CC(O)C(C)C(O)C=CC=CC(C)C(OC(=O)C(C)C(O)C=CC(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)C2O)C1)C(C)CC(C)CCCC=CCCCNC(=N)NC

Other Names for this Substance

  • Propanedioic acid, 1-[5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-15-[11-[[imino(methylamino)methyl]amino]-1,3-dimethyl-7-undecen-1-yl]-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl] ester, stereoisomer
  • Scopafungin
  • Propanedioic acid, mono[5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-15-[11-[[imino(methylamino)methyl]amino]-1,3-dimethyl-7-undecenyl]-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl] ester
  • 16,37-Dioxabicyclo[31.3.1]heptatriacontane, scopafungin deriv.
  • U 29479

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Deleted or Replaced CAS Registry Numbers

116296-62-9, 85568-22-5

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