ASM
Summary
| Name: | 2-AMINO-4-OXO-4(1H-PYRROL-1-YL)BUTANOIC ACID |
| Formula: | C8 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 182.177 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-oxo-4-(1H-pyrrol-1-yl)butanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-oxo-4-pyrrol-1-yl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(n1cccc1)CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(=O)n1cccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC(=O)n1cccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccn(c1)C(=O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccn(c1)C(=O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H10N2O3/c9-6(8(12)13)5-7(11)10-3-1-2-4-10/h1-4,6H,5,9H2,(H,12,13)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | CYQJJKDVTYUIFU-LURJTMIESA-N |
