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59A

Summary
Name:N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE
Synonyms:CA059
N-(L-3-TRANS-ETHOXYCARBONYLOXIRANE-2-CARBONYL)-L-ISOLEUCINE
Formula:C12 H19 N O6
Formal charge:0
Formula weight:273.282 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucine
OpenEye OEToolkits1.5.0(2S,3S)-2-[[(2S,3S)-3-ethoxycarbonyloxiran-2-yl]carbonylamino]-3-methyl-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NC(C(=O)O)C(C)CC)C1OC1C(=O)OCC
SMILES_CANONICALCACTVS3.341CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
SMILESCACTVS3.341CCOC(=O)[CH]1O[CH]1C(=O)N[CH]([CH](C)CC)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC
SMILESOpenEye OEToolkits1.5.0CCC(C)C(C(=O)O)NC(=O)C1C(O1)C(=O)OCC
InChIInChI1.03InChI=1S/C12H19NO6/c1-4-6(3)7(11(15)16)13-10(14)8-9(19-8)12(17)18-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-,8-,9-/m0/s1
InChIKeyInChI1.03MZJYLQZZISBOTF-JBDRJPRFSA-N

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건을2024-07-17부터공개중

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