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30R

Summary
Name:N~2~-[4-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide
Formula:C18 H22 F N3 O4 S
Formal charge:0
Formula weight:395.448 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~2~-[4-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide
OpenEye OEToolkits1.9.2(2R)-2-[[4-(aminomethyl)phenyl]methyl-(4-fluoranyl-3-methyl-phenyl)sulfonyl-amino]-N-oxidanyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C)Cc2ccc(cc2)CN)C
InChIInChI1.03InChI=1S/C18H22FN3O4S/c1-12-9-16(7-8-17(12)19)27(25,26)22(13(2)18(23)21-24)11-15-5-3-14(10-20)4-6-15/h3-9,13,24H,10-11,20H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyInChI1.03CWTKLEFNKQTFGU-CYBMUJFWSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](N(Cc1ccc(CN)cc1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO
SMILESCACTVS3.385C[CH](N(Cc1ccc(CN)cc1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)CN)[C@H](C)C(=O)NO
SMILESOpenEye OEToolkits1.9.2Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)CN)C(C)C(=O)NO

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건을2024-07-10부터공개중

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