DDW
Summary
| Name: | (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid |
| Formula: | C8 H17 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 191.291 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2R)-7-azanyl-2-(sulfanylmethyl)heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(CCCCCN)CS |
| InChI | InChI | 1.03 | InChI=1S/C8H17NO2S/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | OWVFNXQLXNWAHW-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCCCC[C@@H](CS)C(O)=O |
| SMILES | CACTVS | 3.370 | NCCCCC[CH](CS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CC[C@@H](CS)C(=O)O)CCN |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CCC(CS)C(=O)O)CCN |
