CBH
Summary
| Name: | S-(D-CARBOXYBUTYL)-L-HOMOCYSTEINE |
| Formula: | C9 H17 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 235.301 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-{[(3S)-3-amino-3-carboxypropyl]sulfanyl}pentanoic acid |
| OpenEye OEToolkits | 1.5.0 | 5-[(3S)-3-amino-4-hydroxy-4-oxo-butyl]sulfanylpentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCSCCC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCSCCCCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCSCCCCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCSCC[C@@H](C(=O)O)N)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCSCCC(C(=O)O)N)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO4S/c10-7(9(13)14)4-6-15-5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | BMONDXDFXRPNKQ-ZETCQYMHSA-N |
