4UD
Summary
| Name: | (2S)-amino[(5S)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid |
| Formula: | C5 H8 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 144.129 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-amino[(5S)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-2-[(5S)-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1=NOC(C(C(O)=O)N)C1 |
| InChI | InChI | 1.03 | InChI=1S/C5H8N2O3/c6-4(5(8)9)3-1-2-7-10-3/h2-4H,1,6H2,(H,8,9)/t3-,4-/m0/s1 |
| InChIKey | InChI | 1.03 | CHVHVQLSTPEEOL-IMJSIDKUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]([C@@H]1CC=NO1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]([CH]1CC=NO1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1C=NO[C@@H]1[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1C=NOC1C(C(=O)O)N |
