AEA
Summary
| Name: | (2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-ACETIC ACID |
| Formula: | C5 H10 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 178.209 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {[(2S)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]sulfanylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CSCC(=O)O)C(N)=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-/m1/s1 |
| InChIKey | InChI | 1.03 | ZCLNAXHSEATOAW-GSVOUGTGSA-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 | 1.7.6 | C([C@H](C(=O)N)N)SCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C(=O)N)N)SCC(=O)O |
