A1INE
Summary
| Name: | Sulphostin |
| Synonyms: | [azanyl-[(3~{S})-3-azanyl-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamic acid |
| Formula: | C5 H13 N4 O5 P S |
| Formal charge: | 0 |
| Formula weight: | 272.219 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [azanyl-[(3~{S})-3-azanyl-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H13N4O5PS/c6-4-2-1-3-9(5(4)10)15(7,11)8-16(12,13)14/h4H,1-3,6H2,(H3,7,8,11)(H,12,13,14)/t4-,15-/m0/s1 |
| InChIKey | InChI | 1.06 | AYVBXTCIPLYEBG-NMAPHRJESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CCCN(C1=O)[P@@](N)(=O)N[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | N[CH]1CCCN(C1=O)[P](N)(=O)N[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@@H](C(=O)N(C1)P(=O)(N)NS(=O)(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(C(=O)N(C1)P(=O)(N)NS(=O)(=O)O)N |
