Vincaleukoblastine derivative
Molecular Formula:
C90H120N10O22S4
InChI: InChI=1/C90H116N10O14S2.2H2O4S/c1-11-81(107)45-53-47-87(79(105)113-9,69-57(25-35-97(49-53)51-81)55-21-15-17-23-63(55)93-69)61-41-59-65(43-67(61)111-7)95(5)73-85(59)29-37-99-33-19-27-83(13-3,71(85)99)75(101)89(73,109)77(103)91-31-39-115-116-40-32-92-78(104)90(110)74-86(30-38-100-34-20-28-84(14-4,72(86)100)76(90)102)60-42-62(68(112-8)44-66(60)96(74)6)88(80(106)114-10)48-54-46-82(108,12-2)52-98(50-54)36-26-58-56-22-16-18-24-64(56)94-70(58)88;2*1-5(2,3)4/h15-24,27-28,41-44,53-54,71-76,93-94,101-102,107-110H,11-14,25-26,29-40,45-52H2,1-10H3,(H,91,103)(H,92,104);2*(H2,1,2,3,4)/t53-,54-,71?,72?,73+,74+,75+,76+,81-,82-,83+,84+,85+,86+,87-,88-,89?,90?;;/m0../s1/f/h91-92H;2*1-2H
InChIKey: InChIKey=MAUYSZOTGJUYCZ-OTLHYWMPDI
SMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)NCCSSCCNC(=O)C1(C2C3(CCN4C3C(C1O)(C=CC4)CC)C1=CC(=C(C=C1N2C)OC)C1(CC2CC(CN(C2)CCC2=C1NC1=CC=CC=C21)(CC)O)C(=O)OC)O)O)O)CC)OC)C(=O)OC)O.OS(=O)(=O)O.OS(=O)(=O)O
Names:
NSC277096
Vincaleukoblastine derivative
Registries:
PubChem CID 5458553
PubChem ID 8140842
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