6L9
Summary
| Name: | [(2S)-2,3-diamino-3-oxopropyl]propanedioic acid |
| Formula: | C6 H10 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 190.154 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2S)-2,3-diamino-3-oxopropyl]propanedioic acid |
| OpenEye OEToolkits | 2.0.4 | 2-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]propanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(C(C(=O)O)CC(C(=O)N)N)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H10N2O5/c7-3(4(8)9)1-2(5(10)11)6(12)13/h2-3H,1,7H2,(H2,8,9)(H,10,11)(H,12,13)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | ICRLJHQFURIQJP-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC(C(O)=O)C(O)=O)C(N)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC(C(O)=O)C(O)=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C([C@@H](C(=O)N)N)C(C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | C(C(C(=O)O)C(=O)O)C(C(=O)N)N |
