CFU

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Summary

Name:(2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:C10 H14 N2 O4 S
Formal charge:0
Molecular weight:258.294 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
OpenEye OEToolkits1.7.6(2R)-2-[(1R)-1-acetamido-2-oxidanylidene-ethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=CC(NC(=O)C)C1SCC(=C(C(=O)O)N1)C
InChIInChI1.03InChI=1S/C10H14N2O4S/c1-5-4-17-9(12-8(5)10(15)16)7(3-13)11-6(2)14/h3,7,9,12H,4H2,1-2H3,(H,11,14)(H,15,16)/t7-,9-/m1/s1
InChIKeyInChI1.03POOBXVPMJBGTRO-VXNVDRBHSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N[C@H](C=O)[C@@H]1NC(=C(C)CS1)C(O)=O
SMILESCACTVS3.385CC(=O)N[CH](C=O)[CH]1NC(=C(C)CS1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C)C(=O)O
SMILESOpenEye OEToolkits1.7.6CC1=C(NC(SC1)C(C=O)NC(=O)C)C(=O)O