Ethyl N-(O-4-deacetyl-vinblastin-23-oyl)-L-tryptophanate
[CAS# 81571-34-8]

Identification

• Name: Ethyl N-(O-4-deacetyl-vinblastin-23-oyl)-L-tryptophanate
• Synonyms: 4-Deacetyl-3-(((S)-1-(Ethoxycarbonyl)-2-(3-Indolyl)Ethyl)Aminocarbonyl)-3-De(Methoxycarbonyl)Vincaleukoblastin; V-L-Trp-Oet; Vincaleukoblastine, O(Sup 4)-Deacetyl-3-De(Methoxycarbonyl)-3-(((2-Ethoxy-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl)Amino)Carbonyl)-, (23(S))-
• Molecular Formula: C₅₆H₆₈N₆O₉
• Molecular Weight: 969.19
• CAS Registry Number: 81571-34-8
• SMILES: C5=C(C3(C1=C(C2=C([NH]1)C=CC=C2)CCN4CC(C3)CC(CC)(O)C4)C(OC)=O)C(=CC7=C5C6%11C%10C(C(O)C(C6N7C)(C(NC(CC8=C[NH]C9=C8C=CC=C9)C(OCC)=O)=O)O)(C=CCN%10CC%11)CC)OC
• 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)
• InChIKey: IQDSXWRQCKDBMW-UHFFFAOYSA-N

Properties

• Density: 1.403g/cm³ (Cal.)