RE1
Summary
| Name: | GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE |
| Formula: | C11 H21 N3 O7 P |
| Formal charge: | -1 |
| Formula weight: | 338.274 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-[(ammonioacetyl)amino]-7-{[(1S)-1-(hydroxyphosphinato)ethyl]amino}-7-oxoheptanoate |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-(2-azaniumylethanoylamino)-7-[[(1S)-1-(hydroxy-oxido-phosphoryl)ethyl]amino]-7-oxo-heptanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]P(=O)(O)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[NH3+])C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](NC(=O)CCCC[C@H](NC(=O)C[NH3+])C([O-])=O)[P](O)([O-])=O |
| SMILES | CACTVS | 3.341 | C[CH](NC(=O)CCCC[CH](NC(=O)C[NH3+])C([O-])=O)[P](O)([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])[P@](=O)(O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(NC(=O)CCCCC(C(=O)[O-])NC(=O)C[NH3+])P(=O)(O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C11H22N3O7P/c1-7(22(19,20)21)13-9(15)5-3-2-4-8(11(17)18)14-10(16)6-12/h7-8H,2-6,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H2,19,20,21)/p-1/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | DREJXTKPUGMERN-YUMQZZPRSA-M |
