R2T

beta,gamma-dihydroxyglutamine

Created: 2014-01-29
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count3
Bond Count21
Aromatic Bond Count0
2D diagram of R2T

Chemical Component Summary

Namebeta,gamma-dihydroxyglutamine
Systematic Name (OpenEye OEToolkits)(2S,3R,4S)-2,5-bis(azanyl)-3,4-bis(oxidanyl)-5-oxidanylidene-pentanoic acid
FormulaC5 H10 N2 O5
Molecular Weight178.143
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(N)C(O)C(O)C(C(=O)O)N
SMILESCACTVS3.370N[CH]([CH](O)[CH](O)C(N)=O)C(O)=O
SMILESOpenEye OEToolkits1.7.6C(C(C(=O)O)N)(C(C(=O)N)O)O
Canonical SMILESCACTVS3.370 N[C@@H]([C@@H](O)[C@H](O)C(N)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 [C@@H]([C@@H](C(=O)O)N)([C@@H](C(=O)N)O)O
InChIInChI1.03 InChI=1S/C5H10N2O5/c6-1(5(11)12)2(8)3(9)4(7)10/h1-3,8-9H,6H2,(H2,7,10)(H,11,12)/t1-,2+,3-/m0/s1
InChIKeyInChI1.03 KNSJPVSCCDSEJI-MGGFGJSXSA-N

Related Resource References

Resource NameReference
PubChem 137349923