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FOE

Summary
Name:2-(2-AMINO-3-OXO-PROPYLSULFANYL)-N-(4-FLUORO-PHENYL)-N-ISOPROPYL-ACETAMIDE
Formula:C14 H19 F N2 O3 S
Formal charge:0
Formula weight:314.376 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04S-{2-[(4-fluorophenyl)(1-methylethyl)amino]-2-oxoethyl}-L-cysteine
OpenEye OEToolkits1.5.0(2R)-2-amino-3-[2-[(4-fluorophenyl)-propan-2-yl-amino]-2-oxo-ethyl]sulfanyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)CSCC(=O)N(c1ccc(F)cc1)C(C)C
SMILES_CANONICALCACTVS3.341CC(C)N(C(=O)CSC[C@H](N)C(O)=O)c1ccc(F)cc1
SMILESCACTVS3.341CC(C)N(C(=O)CSC[CH](N)C(O)=O)c1ccc(F)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)N(c1ccc(cc1)F)C(=O)CSC[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.5.0CC(C)N(c1ccc(cc1)F)C(=O)CSCC(C(=O)O)N
InChIInChI1.03InChI=1S/C14H19FN2O3S/c1-9(2)17(11-5-3-10(15)4-6-11)13(18)8-21-7-12(16)14(19)20/h3-6,9,12H,7-8,16H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyInChI1.03NYVPFDRTSVHZRO-LBPRGKRZSA-N

223532

건을2024-08-07부터공개중

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