Obsolete: FH6
Summary
| Name: | (2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal |
| Formula: | C8 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 202.274 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H14N2O2S/c1-5-7(2-8(12)10-5)13-4-6(9)3-11/h3,5-7H,2,4,9H2,1H3,(H,10,12)/t5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.06 | DSBMZROJCWDNEG-RRKCRQDMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1NC(=O)C[C@H]1SC[C@H](N)C=O |
| SMILES | CACTVS | 3.385 | C[CH]1NC(=O)C[CH]1SC[CH](N)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1[C@@H](CC(=O)N1)SC[C@@H](C=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(CC(=O)N1)SCC(C=O)N |
