5R5

methyl L-serinate

Created:2015-11-13
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count1
Bond Count16
Aromatic Bond Count0
2D diagram of 5R5

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Chemical Component Summary

Namemethyl L-serinate
Synonymsmethyl (2~{S})-2-azanyl-3-oxidanyl-propanoate
Systematic Name (OpenEye OEToolkits)methyl (2~{S})-2-azanyl-3-oxidanyl-propanoate
FormulaC4 H9 N O3
Molecular Weight119.119
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(C(=O)OC)CO
SMILESCACTVS3.385COC(=O)[CH](N)CO
SMILESOpenEye OEToolkits2.0.7COC(=O)C(CO)N
Canonical SMILESCACTVS3.385 COC(=O)[C@@H](N)CO
Canonical SMILESOpenEye OEToolkits2.0.7 COC(=O)[C@H](CO)N
InChIInChI1.03 InChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3/t3-/m0/s1
InChIKeyInChI1.03 ANSUDRATXSJBLY-VKHMYHEASA-N

Related Resource References

Resource NameReference
PubChem 2723731
ChEMBL CHEMBL440577
CCDC/CSD AJEVIV
COD 2224476