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PN3

Summary
Name:tert-butyl {(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate
Formula:C15 H22 N2 O4
Formal charge:0
Formula weight:294.346 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01tert-butyl {(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate
OpenEye OEToolkits1.7.0tert-butyl N-[(2S)-1-[hydroxy(methanoyl)amino]-3-phenyl-propan-2-yl]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=CN(O)CC(NC(=O)OC(C)(C)C)Cc1ccccc1
SMILES_CANONICALCACTVS3.370CC(C)(C)OC(=O)N[C@H](CN(O)C=O)Cc1ccccc1
SMILESCACTVS3.370CC(C)(C)OC(=O)N[CH](CN(O)C=O)Cc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(C=O)O
SMILESOpenEye OEToolkits1.7.0CC(C)(C)OC(=O)NC(Cc1ccccc1)CN(C=O)O
InChIInChI1.03InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-13(10-17(20)11-18)9-12-7-5-4-6-8-12/h4-8,11,13,20H,9-10H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyInChI1.03WLOCWKYZMRXKHU-ZDUSSCGKSA-N

222415

数据于2024-07-10公开中

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