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ANM

Summary
Name:ANISOMYCIN
Formula:C14 H19 N O4
Formal charge:0
Formula weight:265.305 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,3S,4S)-4-hydroxy-2-(4-methoxybenzyl)pyrrolidin-3-yl acetate
OpenEye OEToolkits1.5.0[(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC1C(NCC1O)Cc2ccc(OC)cc2)C
SMILES_CANONICALCACTVS3.341COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1
SMILESCACTVS3.341COc1ccc(C[CH]2NC[CH](O)[CH]2OC(C)=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=O)O[C@@H]1[C@H](CN[C@@H]1Cc2ccc(cc2)OC)O
SMILESOpenEye OEToolkits1.5.0CC(=O)OC1C(CNC1Cc2ccc(cc2)OC)O
InChIInChI1.03InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1
InChIKeyInChI1.03YKJYKKNCCRKFSL-RDBSUJKOSA-N

226707

數據於2024-10-30公開中

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