35K
Summary
| Name: | (2S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid |
| Formula: | C12 H13 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 263.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-4-[2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCc1ccc2c(c1)NC(=O)C(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C12H13N3O4/c13-7(12(18)19)3-1-6-2-4-8-9(5-6)15-11(17)10(16)14-8/h2,4-5,7H,1,3,13H2,(H,14,16)(H,15,17)(H,18,19)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | HOBORVHHDCBXLX-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCc1ccc2NC(=O)C(=O)Nc2c1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCc1ccc2NC(=O)C(=O)Nc2c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1CC[C@@H](C(=O)O)N)NC(=O)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1CCC(C(=O)O)N)NC(=O)C(=O)N2 |
