48V
Summary
| Name: | {[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid |
| Formula: | C5 H10 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 178.209 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid |
| OpenEye OEToolkits | 1.9.2 | 2-[(2R)-2,3-bis(azanyl)-3-oxidanylidene-propyl]sulfanylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)C(N)CSCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10N2O3S/c6-3(5(7)10)1-11-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | ZCLNAXHSEATOAW-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CSCC(O)=O)C(N)=O |
| SMILES | CACTVS | 3.385 | N[CH](CSCC(O)=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C([C@@H](C(=O)N)N)SCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(C(C(=O)N)N)SCC(=O)O |
