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 | |
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Formal Charge | 0 |
Atom Count | 37 |
Chiral Atom Count | 2 |
Bond Count | 37 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid |
Synonyms | Cyclosarin bound Serine |
Systematic Name (OpenEye OEToolkits) | (2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid |
Formula | C10 H20 N O5 P |
Molecular Weight | 265.243 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)COP(=O)(OC1CCCCC1)C |
SMILES | CACTVS | 3.385 | C[P](=O)(OC[CH](N)C(O)=O)OC1CCCCC1 |
SMILES | OpenEye OEToolkits | 1.9.2 | CP(=O)(OCC(C(=O)O)N)OC1CCCCC1 |
Canonical SMILES | CACTVS | 3.385 | C[P@](=O)(OC[C@H](N)C(O)=O)OC1CCCCC1 |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | C[P@](=O)(OC[C@@H](C(=O)O)N)OC1CCCCC1 |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | MMIZIQBFTWGSRL-XYZCENFISA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137349426 |