DIV

D-ISOVALINE

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count1
Bond Count18
Aromatic Bond Count0
2D diagram of DIV

Chemical Component Summary

NameD-ISOVALINE
Systematic Name (OpenEye OEToolkits)(2R)-2-amino-2-methyl-butanoic acid
FormulaC5 H11 N O2
Molecular Weight117.146
TypeD-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(N)(C)CC
SMILESCACTVS3.341CC[C](C)(N)C(O)=O
SMILESOpenEye OEToolkits1.5.0CCC(C)(C(=O)O)N
Canonical SMILESCACTVS3.341 CC[C@@](C)(N)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC[C@](C)(C(=O)O)N
InChIInChI1.03 InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKeyInChI1.03 GCHPUFAZSONQIV-RXMQYKEDSA-N

Drug Info: DrugBank

DrugBank IDDB04171 
NameD-Isovaline
Groups experimental
SynonymsD-Isovaline

Related Resource References

Resource NameReference
PubChem 2724877, 6971277
CCDC/CSD CISNUP
COD 2238885