Leurosine
AlkaPlorer ID: AK304373
Synonym: 4'-Deoxy-3',4'-epoxyvincaleucoblastine, Vinleurosine, NSC 528004, Lilly 32645
IUPAC Name: methyl 13-(11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl)-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate
Structure
SMILES: CCC12CN3CCC4=C(NC5=CC=CC=C45)C(C(=O)OC)(C4=CC5=C(C=C4OC)N(C)C4C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN7CCC54C76)CC(C3)C1O2
InChI: InChI=1S/C46H56N4O9/c1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3
InChIKey: LPGWZGMPDKDHEP-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 808.9729999999997
TPSA？: 146.4
MolLogP？: 4.007300000000004
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 10
Activities Information
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