A1L7G
Summary
| Name: | (2~{S})-4-(naphthalen-2-ylamino)-4-oxidanylidene-2-(3-oxidanylpropylamino)butanoic acid |
| Formula: | C17 H20 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 316.352 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-4-(naphthalen-2-ylamino)-4-oxidanylidene-2-(3-oxidanylpropylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H20N2O4/c20-9-3-8-18-15(17(22)23)11-16(21)19-14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,15,18,20H,3,8-9,11H2,(H,19,21)(H,22,23)/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | XGSOJHFXQLOTSQ-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCCN[C@@H](CC(=O)Nc1ccc2ccccc2c1)C(O)=O |
| SMILES | CACTVS | 3.385 | OCCCN[CH](CC(=O)Nc1ccc2ccccc2c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)NC(=O)C[C@@H](C(=O)O)NCCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)NC(=O)CC(C(=O)O)NCCCO |
