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SPC

Summary
Name:N-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-2R-CARBOXAMIDE
Formula:C13 H19 N3 O6 S
Formal charge:0
Formula weight:345.371 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(4S)-N-hydroxy-4-(methoxyamino)-1-[(4-methoxyphenyl)sulfonyl]-D-prolinamide
OpenEye OEToolkits1.5.0(1R,2R)-N-hydroxy-4-(methoxyamino)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1ccc(OC)cc1)N2C(C(=O)NO)CC(NOC)C2
SMILES_CANONICALCACTVS3.341CON[C@H]1C[C@@H](N(C1)[S](=O)(=O)c2ccc(OC)cc2)C(=O)NO
SMILESCACTVS3.341CON[CH]1C[CH](N(C1)[S](=O)(=O)c2ccc(OC)cc2)C(=O)NO
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(cc1)S(=O)(=O)[N@@]2CC(C[C@@H]2C(=O)NO)NOC
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1)S(=O)(=O)N2CC(CC2C(=O)NO)NOC
InChIInChI1.03InChI=1S/C13H19N3O6S/c1-21-10-3-5-11(6-4-10)23(19,20)16-8-9(15-22-2)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9-,12+/m0/s1
InChIKeyInChI1.03OJLWCTMBGWSVFC-JOYOIKCWSA-N

219140

PDB entries from 2024-05-01

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