Cas no 81571-34-8 (Vincaleukoblastine,O4-deacetyl-3-de(methoxycarbonyl)-3-[[[2-ethoxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-,[3(R)]- (9CI))

Vincaleukoblastine,O4-deacetyl-3-de(methoxycarbonyl)-3-[[[2-ethoxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-,[3(R)]- (9CI) structure
81571-34-8 structure
Product Name:Vincaleukoblastine,O4-deacetyl-3-de(methoxycarbonyl)-3-[[[2-ethoxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-,[3(R)]- (9CI)
CAS No:81571-34-8
MF:C56H68N6O9
MW:969.173934936523
CID:724631
PubChem ID:157902
Update Time:2025-04-19

Vincaleukoblastine,O4-deacetyl-3-de(methoxycarbonyl)-3-[[[2-ethoxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-,[3(R)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Vincaleukoblastine,O4-deacetyl-3-de(methoxycarbonyl)-3-[[[2-ethoxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-,[3(R)]- (9CI)
    • Vincaleukoblastine, O(sup 4)-deacetyl-3-de(methoxycarbonyl)-3-(((2-eth oxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl)amino)carbonyl)-, (3(R))-
    • Vincaleukoblastine,O4-deacetyl-3-de(methoxycarbonyl)-3-[[[2-ethoxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-,[3(R)]
    • V-Trp-E
    • 81571-34-8
    • Ethyl N-(O-4-deacetyl-vinblastin-23-oyl)-L-tryptophanate
    • AKOS040754361
    • Vincaleukoblastine, O(sup 4)-deacetyl-3-de(methoxycarbonyl)-3-(((2-ethoxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl)amino)carbonyl)-, (3(R))-
    • 81600-06-8
    • DTXSID001318323
    • Inchi： 1S/C56H68N6O9/c1-7-52(67)28-33-29-55(51(66)70-6,45-37(19-23-61(31-33)32-52)36-16-11-13-18-41(36)58-45)39-26-38-43(27-44(39)69-5)60(4)48-54(38)21-24-62-22-14-20-53(8-2,47(54)62)49(64)56(48,68)50(65)59-42(46(63)71-9-3)25-34-30-57-40-17-12-10-15-35(34)40/h10-18,20,26-27,30,33,42,47-49,57-58,64,67-68H,7-9,19,21-25,28-29,31-32H2,1-6H3,(H,59,65)
    • InChI Key： IQDSXWRQCKDBMW-UHFFFAOYSA-N
    • SMILES： OC1(C(NC(C(=O)OCC)CC2=CNC3C=CC=CC2=3)=O)C(C2(C=CCN3CCC4(C5C=C(C6(C(=O)OC)C7=C(C8C=CC=CC=8N7)CCN7CC(CC)(CC(C7)C6)O)C(=CC=5N(C)C41)OC)C32)CC)O

Computed Properties

  • Exact Mass: 968.504778
  • Monoisotopic Mass: 968.504778
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 71
  • Rotatable Bond Count: 13
  • Complexity: 2050
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 10
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.5
  • Topological Polar Surface Area: 193

Experimental Properties

  • PSA: 196.41000
  • LogP: 5.80010

Vincaleukoblastine,O4-deacetyl-3-de(methoxycarbonyl)-3-[[[2-ethoxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-,[3(R)]- (9CI) Related Literature

Related Categories

81571-34-8 (Vincaleukoblastine,O4-deacetyl-3-de(methoxycarbonyl)-3-[[[2-ethoxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-,[3(R)]- (9CI)) Related Products

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