STA

STATINE

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

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count2
Bond Count28
Aromatic Bond Count0
2D diagram of STA

Chemical Component Summary

NameSTATINE
Systematic Name (OpenEye OEToolkits)(3S,4S)-4-azanyl-3-hydroxy-6-methyl-heptanoic acid
FormulaC8 H17 N O3
Molecular Weight175.225
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(O)CC(O)C(N)CC(C)C
SMILESCACTVS3.370CC(C)C[CH](N)[CH](O)CC(O)=O
SMILESOpenEye OEToolkits1.7.0CC(C)CC(C(CC(=O)O)O)N
Canonical SMILESCACTVS3.370 CC(C)C[C@H](N)[C@@H](O)CC(O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 CC(C)C[C@@H]([C@H](CC(=O)O)O)N
InChIInChI1.03 InChI=1S/C8H17NO3/c1-5(2)3-6(9)7(10)4-8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyInChI1.03 DFVFTMTWCUHJBL-BQBZGAKWSA-N

Related Resource References

Resource NameReference
PubChem 123915, 7009606