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DU3

Summary
Name:2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine
Formula:C22 H23 N3 O4
Formal charge:0
Formula weight:393.436 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine
OpenEye OEToolkits1.7.21-[(2R,4S,5R)-5-[[(diphenylmethyl)amino]methyl]-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CNC(c3ccccc3)c4ccccc4
InChIInChI1.03InChI=1S/C22H23N3O4/c26-17-13-20(25-12-11-19(27)24-22(25)28)29-18(17)14-23-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17-18,20-21,23,26H,13-14H2,(H,24,27,28)/t17-,18+,20+/m0/s1
InChIKeyInChI1.03JJVBLAPDVHVENR-NLWGTHIKSA-N
SMILES_CANONICALCACTVS3.370O[C@H]1C[C@@H](O[C@@H]1CNC(c2ccccc2)c3ccccc3)N4C=CC(=O)NC4=O
SMILESCACTVS3.370O[CH]1C[CH](O[CH]1CNC(c2ccccc2)c3ccccc3)N4C=CC(=O)NC4=O
SMILES_CANONICALOpenEye OEToolkits1.7.2c1ccc(cc1)C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O
SMILESOpenEye OEToolkits1.7.2c1ccc(cc1)C(c2ccccc2)NCC3C(CC(O3)N4C=CC(=O)NC4=O)O

222624

数据于2024-07-17公开中

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