8JB
Summary
| Name: | (2~{R})-2-azanyl-3-[[(5~{S})-5-[(1~{S})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic 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 |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-azanyl-3-[[(5~{S})-5-[(1~{S})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| 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/h3-4,6H,1-2,9-10H2,(H,12,13)(H,14,15)/t3-,4-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | BTLNMJRNISORTP-FKZODXBYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CSC1=NO[C@@H](C1)[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CSC1=NO[CH](C1)[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@H](ON=C1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C(ON=C1SCC(C(=O)O)N)C(C(=O)O)N |
