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4SA

Summary
Name:tert-butyl [(1S)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate
Formula:C19 H22 N2 O4
Formal charge:0
Formula weight:342.389 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01tert-butyl [(1S)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate
OpenEye OEToolkits1.9.2tert-butyl N-[(1S)-2-(oxidanylamino)-2-oxidanylidene-1-(4-phenylphenyl)ethyl]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2ccc(c1ccc(C(NC(OC(C)(C)C)=O)C(NO)=O)cc1)cc2
InChIInChI1.03InChI=1S/C19H22N2O4/c1-19(2,3)25-18(23)20-16(17(22)21-24)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12,16,24H,1-3H3,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyInChI1.03BENZKHKGKDQWFM-INIZCTEOSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)OC(=O)N[C@H](C(=O)NO)c1ccc(cc1)c2ccccc2
SMILESCACTVS3.385CC(C)(C)OC(=O)N[CH](C(=O)NO)c1ccc(cc1)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2ccccc2)C(=O)NO
SMILESOpenEye OEToolkits1.9.2CC(C)(C)OC(=O)NC(c1ccc(cc1)c2ccccc2)C(=O)NO

221371

PDB entries from 2024-06-19

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