O4-Deacetyl-3-de(methoxycarbonyl)-3-[[[(1S,2S)-1-(ethoxycarbonyl)-2-methylbutyl]amino]carbonyl]vincaleukoblastine

CAS Registry Number®

81571-28-0

CAS Name

O4-Deacetyl-3-de(methoxycarbonyl)-3-[[[(1S,2S)-1-(ethoxycarbonyl)-2-methylbutyl]amino]carbonyl]vincaleukoblastine

Molecular Formula

C51H69N5O9

Molecular Mass

896.12

Cite this Page

O4-Deacetyl-3-de(methoxycarbonyl)-3-[[[(1S,2S)-1-(ethoxycarbonyl)-2-methylbutyl]amino]carbonyl]vincaleukoblastine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81571-28-0 (retrieved 2024-11-22) (CAS RN: 81571-28-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C51H69N5O9/c1-9-30(5)39(41(57)65-12-4)53-45(59)51(62)43-49(20-23-56-21-15-19-48(11-3,42(49)56)44(51)58)34-24-35(38(63-7)25-37(34)54(43)6)50(46(60)64-8)27-31-26-47(61,10-2)29-55(28-31)22-18-33-32-16-13-14-17-36(32)52-40(33)50/h13-17,19,24-25,30-31,39,42-44,52,58,61-62H,9-12,18,20-23,26-29H2,1-8H3,(H,53,59)

InChIKey

InChIKey=QSTPFUDHVVIGCL-UHFFFAOYSA-N

SMILES

C(C)C12C3C4(C(C(C(NC(C(OCC)=O)C(CC)C)=O)(O)C1O)N(C)C=5C4=CC(=C(OC)C5)C6(C(OC)=O)C7=C(C=8C(N7)=CC=CC8)CCN9CC(C6)CC(CC)(O)C9)CCN3CC=C2

Canonical SMILES

O=C(OCC)C(NC(=O)C1(O)C(O)C2(C=CCN3CCC4(C5=CC(=C(OC)C=C5N(C)C14)C6(C(=O)OC)C=7NC=8C=CC=CC8C7CCN9CC(C6)CC(O)(C9)CC)C32)CC)C(C)CC

Other Names for this Substance

  • Vincaleukoblastine, O4-deacetyl-3-de(methoxycarbonyl)-3-[[[(1S,2S)-1-(ethoxycarbonyl)-2-methylbutyl]amino]carbonyl]-
  • Vincaleukoblastine, O4-deacetyl-3-de(methoxycarbonyl)-3-[[[1-(ethoxycarbonyl)-2-methylbutyl]amino]carbonyl]-, [3(1S,2S)]-
  • O4-Deacetyl-3-de(methoxycarbonyl)-3-[[[(1S,2S)-1-(ethoxycarbonyl)-2-methylbutyl]amino]carbonyl]vincaleukoblastine
  • Deacetylvinblastine-L-Ileu-OEt
  • Vinleucinol

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Deleted or Replaced CAS Registry Numbers

128529-72-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration