5OM

(2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid

Created:2015-10-29
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count2
Bond Count35
Aromatic Bond Count0
2D diagram of 5OM

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Chemical Component Summary

Name(2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-2-azanyl-8,8-bis(oxidanyl)-8-[(2~{S})-oxiran-2-yl]octanoic acid
FormulaC10 H19 N O5
Molecular Weight233.262
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(CCCCCC(N)C(=O)O)(O)C1OC1
SMILESCACTVS3.385N[CH](CCCCCC(O)(O)[CH]1CO1)C(O)=O
SMILESOpenEye OEToolkits2.0.4C1C(O1)C(CCCCCC(C(=O)O)N)(O)O
Canonical SMILESCACTVS3.385 N[C@@H](CCCCCC(O)(O)[C@@H]1CO1)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.4 C1[C@H](O1)C(CCCCC[C@@H](C(=O)O)N)(O)O
InChIInChI1.03 InChI=1S/C10H19NO5/c11-7(9(12)13)4-2-1-3-5-10(14,15)8-6-16-8/h7-8,14-15H,1-6,11H2,(H,12,13)/t7-,8-/m0/s1
InChIKeyInChI1.03 UAOBJHWYYLJIHG-YUMQZZPRSA-N

Related Resource References

Resource NameReference
PubChem 137348383