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SLR

Summary
Name:(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline
Formula:C10 H17 N O5
Formal charge:0
Formula weight:231.246 Da
Component type:D-peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline
OpenEye OEToolkits1.5.0(2R,3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methyl-propyl]-4-methyl-5-oxo-pyrrolidine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C
SMILES_CANONICALCACTVS3.341CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@H]1O)C(O)=O
SMILESCACTVS3.341CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H]1[C@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)O)O
SMILESOpenEye OEToolkits1.5.0CC1C(C(NC1=O)(C(C(C)C)O)C(=O)O)O
InChIInChI1.03InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1
InChIKeyInChI1.03USVJHCXEVSVUEZ-JTGULSINSA-N

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건을2024-07-10부터공개중

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