L4C

(2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID

Created:2007-01-15
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count1
Bond Count33
Aromatic Bond Count0
2D diagram of L4C

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Chemical Component Summary

Name(2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID
SynonymsLACTIVICIN
Systematic Name (OpenEye OEToolkits)(2E)-2-[(2S)-2-acetamido-3-hydroxy-3-oxo-propoxy]iminopentanedioic acid
FormulaC10 H14 N2 O8
Molecular Weight290.227
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)\C(=N\OCC(NC(=O)C)C(=O)O)CCC(=O)O
SMILESCACTVS3.341CC(=O)N[CH](CON=C(CCC(O)=O)C(O)=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0CC(=O)NC(CON=C(CCC(=O)O)C(=O)O)C(=O)O
Canonical SMILESCACTVS3.341 CC(=O)N[C@@H](CO\N=C(/CCC(O)=O)C(O)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O
InChIInChI1.03 InChI=1S/C10H14N2O8/c1-5(13)11-7(10(18)19)4-20-12-6(9(16)17)2-3-8(14)15/h7H,2-4H2,1H3,(H,11,13)(H,14,15)(H,16,17)(H,18,19)/b12-6+/t7-/m0/s1
InChIKeyInChI1.03 ULEFFWARYSNNRF-NYYVKIQXSA-N

Related Resource References

Resource NameReference
PubChem 14164528