GFT

(2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid

Created: 2013-02-04
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count2
Bond Count37
Aromatic Bond Count0
2D diagram of GFT

Chemical Component Summary

Name(2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid
SynonymsCyclosarin bound Serine
Systematic Name (OpenEye OEToolkits)(2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid
FormulaC10 H20 N O5 P
Molecular Weight265.243
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(O)C(N)COP(=O)(OC1CCCCC1)C
SMILESCACTVS3.385C[P](=O)(OC[CH](N)C(O)=O)OC1CCCCC1
SMILESOpenEye OEToolkits1.9.2CP(=O)(OCC(C(=O)O)N)OC1CCCCC1
Canonical SMILESCACTVS3.385 C[P@](=O)(OC[C@H](N)C(O)=O)OC1CCCCC1
Canonical SMILESOpenEye OEToolkits1.9.2 C[P@](=O)(OC[C@@H](C(=O)O)N)OC1CCCCC1
InChIInChI1.03 InChI=1S/C10H20NO5P/c1-17(14,15-7-9(11)10(12)13)16-8-5-3-2-4-6-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-,17-/m0/s1
InChIKeyInChI1.03 MMIZIQBFTWGSRL-XYZCENFISA-N

Related Resource References

Resource NameReference
PubChem 137349426