REY
Summary
| Name: | GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE |
| Formula: | C12 H21 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 303.312 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-[(ammonioacetyl)amino]-7-{[(1R)-1-carboxyethyl]amino}-7-oxoheptanoate |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-(2-azaniumylethanoylamino)-7-[[(2R)-1-hydroxy-1-oxo-propan-2-yl]amino]-7-oxo-heptanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)O)C)CCCCC(C([O-])=O)NC(=O)C[NH3+] |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](NC(=O)CCCC[C@H](NC(=O)C[NH3+])C([O-])=O)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](NC(=O)CCCC[CH](NC(=O)C[NH3+])C([O-])=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)NC(=O)CCCCC(C(=O)[O-])NC(=O)C[NH3+] |
| InChI | InChI | 1.03 | InChI=1S/C12H21N3O6/c1-7(11(18)19)14-9(16)5-3-2-4-8(12(20)21)15-10(17)6-13/h7-8H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)/t7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | ZMQJQOKNTYQVHO-SFYZADRCSA-N |
