LK3
Summary
| Name: | N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-D-GLUTAMIC ACID |
| Formula: | C20 H25 N O7 S |
| Formal charge: | 0 |
| Formula weight: | 423.48 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{[6-(pentyloxy)naphthalen-2-yl]sulfonyl}-D-glutamic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[(6-pentoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NS(=O)(=O)c1ccc2c(c1)ccc(OCCCCC)c2)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[C@H](CCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)NC(CCC(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H25NO7S/c1-2-3-4-11-28-16-7-5-15-13-17(8-6-14(15)12-16)29(26,27)21-18(20(24)25)9-10-19(22)23/h5-8,12-13,18,21H,2-4,9-11H2,1H3,(H,22,23)(H,24,25)/t18-/m1/s1 |
| InChIKey | InChI | 1.03 | LIGACKDHLKEZFH-GOSISDBHSA-N |
