EG3
Summary
| Name: | PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE |
| Formula: | C22 H30 N4 O6 S |
| Formal charge: | 0 |
| Formula weight: | 478.562 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{2-[2-(2-{[(4-sulfamoylphenyl)carbonyl]amino}ethoxy)ethoxy]ethyl}-L-phenylalaninamide |
| OpenEye OEToolkits | 1.5.0 | N-[2-[2-[2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]ethoxy]ethoxy]ethyl]-4-sulfamoyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)C(N)Cc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)c2ccc(cc2)[S](N)(=O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)c2ccc(cc2)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@@H](C(=O)NCCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(C(=O)NCCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N)N |
| InChI | InChI | 1.03 | InChI=1S/C22H30N4O6S/c23-20(16-17-4-2-1-3-5-17)22(28)26-11-13-32-15-14-31-12-10-25-21(27)18-6-8-19(9-7-18)33(24,29)30/h1-9,20H,10-16,23H2,(H,25,27)(H,26,28)(H2,24,29,30)/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | QNZDHHNWUXIYOH-FQEVSTJZSA-N |
