EGV
Summary
| Name: | (4S)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid |
| Formula: | C6 H11 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 189.169 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid |
| OpenEye OEToolkits | 2.0.6 | (4~{S})-5-carbamimidamido-4-oxidanyl-2-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)(C(CC(CNC(=N)\N)O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H11N3O4/c7-6(8)9-2-3(10)1-4(11)5(12)13/h3,10H,1-2H2,(H,12,13)(H4,7,8,9)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | RPBOKETVUMOUHD-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NC[C@@H](O)CC(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=N)NC[CH](O)CC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/N)\NC[C@H](CC(=O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C(CNC(=N)N)O)C(=O)C(=O)O |
