81S
Summary
| Name: | (4S)-4,5-disulfanyl-L-norvaline |
| Formula: | C5 H11 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 181.276 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-4,5-disulfanyl-L-norvaline |
| OpenEye OEToolkits | 1.7.6 | (2S,4S)-2-azanyl-4,5-bis(sulfanyl)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CC(S)CS |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO2S2/c6-4(5(7)8)1-3(10)2-9/h3-4,9-10H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1 |
| InChIKey | InChI | 1.03 | JVFQVJUNUZLFFO-IMJSIDKUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C[C@H](S)CS)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](C[CH](S)CS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H](CS)S)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(CS)S)C(C(=O)O)N |
