HYI
Summary
| Name: | (2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID |
| Formula: | C8 H16 N2 O6 S |
| Formal charge: | 0 |
| Formula weight: | 268.287 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-[(2R,3R)-2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl]-L-homocysteine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-[(2R,3R)-2,3-dihydroxy-4-(hydroxyamino)-4-oxo-butyl]sulfanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NO)C(O)C(O)CSCCC(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCSC[CH](O)[CH](O)C(=O)NO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CSC[C@@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CSCC(C(C(=O)NO)O)O)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | PWFBZASPUNGGAM-HCWXCVPCSA-N |
