HJH

(2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid

Created: 2018-12-10
Last modified:  2019-04-17

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count1
Bond Count23
Aromatic Bond Count5
2D diagram of HJH

Chemical Component Summary

Name(2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid
FormulaC6 H10 N4 O3
Molecular Weight186.169
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cn1nc(O)c(C[CH](N)C(O)=O)n1
SMILESOpenEye OEToolkits2.0.6Cn1nc(c(n1)O)CC(C(=O)O)N
Canonical SMILESCACTVS3.385 Cn1nc(O)c(C[C@H](N)C(O)=O)n1
Canonical SMILESOpenEye OEToolkits2.0.6 Cn1nc(c(n1)O)C[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C6H10N4O3/c1-10-8-4(5(11)9-10)2-3(7)6(12)13/h3H,2,7H2,1H3,(H,9,11)(H,12,13)/t3-/m0/s1
InChIKeyInChI1.03 INIGHNGDJJNUCU-VKHMYHEASA-N

Related Resource References

Resource NameReference
PubChem 137796785