AS1
Summary
| Name: | ARGININOSUCCINATE |
| Formula: | C10 H18 N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 290.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{N-[(4S)-4-amino-4-carboxybutyl]carbamimidoyl}-D-aspartic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[[N-[(4S)-4-amino-5-hydroxy-5-oxo-pentyl]carbamimidoyl]amino]butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCCNC(=[N@H])NC(C(=O)O)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCNC(=N)N[C@H](CC(O)=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCNC(=N)N[CH](CC(O)=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(NCCCC(C(=O)O)N)NC(CC(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | KDZOASGQNOPSCU-NTSWFWBYSA-N |
