GFT
Summary
| Name: | (2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid |
| Synonyms: | Cyclosarin bound Serine |
| Formula: | C10 H20 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 265.243 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | O-[(S)-(cyclohexyloxy)(methyl)phosphoryl]-L-serine |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)COP(=O)(OC1CCCCC1)C |
| 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 |
| SMILES_CANONICAL | CACTVS | 3.385 | C[P@](=O)(OC[C@H](N)C(O)=O)OC1CCCCC1 |
| SMILES | CACTVS | 3.385 | C[P](=O)(OC[CH](N)C(O)=O)OC1CCCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[P@](=O)(OC[C@@H](C(=O)O)N)OC1CCCCC1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CP(=O)(OCC(C(=O)O)N)OC1CCCCC1 |
