EVT
Summary
| Name: | (2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid |
| Formula: | C26 H46 N2 O8 |
| Formal charge: | 0 |
| Formula weight: | 514.652 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H46N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(29)27-20(25(33)34)16-18-23(30)28-21(26(35)36)17-19-24(31)32/h20-21H,2-19H2,1H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,35,36)/t20-,21-/m0/s1 |
| InChIKey | InChI | 1.03 | JFNZOURGWMREOJ-SFTDATJTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O |
