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BBH

Summary
Name:1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE
Formula:C19 H21 N3 O6 S
Formal charge:0
Formula weight:419.452 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(4R)-1-benzyl-N-hydroxy-3-[(4-methoxyphenyl)sulfonyl]-6-oxohexahydropyrimidine-4-carboxamide
OpenEye OEToolkits1.5.0(3R,4R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-oxo-1-(phenylmethyl)-1,3-diazinane-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1ccc(OC)cc1)N3C(C(=O)NO)CC(=O)N(Cc2ccccc2)C3
SMILES_CANONICALCACTVS3.341COc1ccc(cc1)[S](=O)(=O)N2CN(Cc3ccccc3)C(=O)C[C@@H]2C(=O)NO
SMILESCACTVS3.341COc1ccc(cc1)[S](=O)(=O)N2CN(Cc3ccccc3)C(=O)C[CH]2C(=O)NO
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(cc1)S(=O)(=O)[N@]2CN(C(=O)C[C@@H]2C(=O)NO)Cc3ccccc3
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1)S(=O)(=O)N2CN(C(=O)CC2C(=O)NO)Cc3ccccc3
InChIInChI1.03InChI=1S/C19H21N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-13-21(12-14-5-3-2-4-6-14)18(23)11-17(22)19(24)20-25/h2-10,17,25H,11-13H2,1H3,(H,20,24)/t17-/m1/s1
InChIKeyInChI1.03SUSMVCKSLVPRCL-QGZVFWFLSA-N

247536

PDB entries from 2026-01-14

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