REZ
Summary
| Name: | (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-7-OXOHEPTANOIC ACID |
| Formula: | C10 H18 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 246.26 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-amino-7-{[(1R)-1-carboxyethyl]amino}-7-oxoheptanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-7-[[(2R)-1-hydroxy-1-oxo-propan-2-yl]amino]-7-oxo-heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)CCCCC(N)C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](NC(=O)CCCC[C@@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](NC(=O)CCCC[CH](N)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)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)NC(=O)CCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H18N2O5/c1-6(9(14)15)12-8(13)5-3-2-4-7(11)10(16)17/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | GMHVWLJCMCGBKZ-RNFRBKRXSA-N |
