143
Summary
| Name: | S-2,3-DIHYDRO-5-GLYCIN-2-YL-ISOXAZOL-3-YL-CYSTEINE |
| Synonyms: | 2-AMINO-3-[5-(AMINO-CARBOXY-METHYL)-2,3-DIHYDRO-ISOXAZOL-3-YLSULFANYL]-PROPIONIC ACID |
| Formula: | C8 H13 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 263.271 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-{(3R)-5-[(S)-amino(carboxy)methyl]-2,3-dihydroisoxazol-3-yl}-L-cysteine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-[[(3R)-5-[(1S)-1-amino-2-hydroxy-2-oxo-ethyl]-2,3-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(C=1ONC(SCC(N)C(=O)O)C=1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CS[C@H]1NOC(=C1)[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CS[CH]1NOC(=C1)[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(ONC1SCC(C(=O)O)N)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H13N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h1,3,5-6,11H,2,9-10H2,(H,12,13)(H,14,15)/t3-,5+,6-/m0/s1 |
| InChIKey | InChI | 1.03 | BKLXHXYNMPKLBR-LFRDXLMFSA-N |
