GVL

O-[(R)-{[(3R)-4-AMINO-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL]OXY}(HYDROXY)PHOSPHORYL]-L-SERINE

Created: 2007-03-09
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count38
Aromatic Bond Count0
2D diagram of GVL

Chemical Component Summary

NameO-[(R)-{[(3R)-4-AMINO-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL]OXY}(HYDROXY)PHOSPHORYL]-L-SERINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-3-[[(3R)-4-amino-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-hydroxy-phosphoryl]oxy-propanoic acid
FormulaC9 H19 N2 O8 P
Molecular Weight314.23
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(N)C(O)C(COP(=O)(OCC(N)C(=O)O)O)(C)C
SMILESCACTVS3.341CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O)C(N)=O
SMILESOpenEye OEToolkits1.5.0CC(C)(COP(=O)(O)OCC(C(=O)O)N)C(C(=O)N)O
Canonical SMILESCACTVS3.341 CC(C)(CO[P@](O)(=O)OC[C@H](N)C(O)=O)[C@@H](O)C(N)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)N)O
InChIInChI1.03 InChI=1S/C9H19N2O8P/c1-9(2,6(12)7(11)13)4-19-20(16,17)18-3-5(10)8(14)15/h5-6,12H,3-4,10H2,1-2H3,(H2,11,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1
InChIKeyInChI1.03 YQHAEUQRUHFKLT-WDSKDSINSA-N

Related Resource References

Resource NameReference
PubChem 52941747