CYK
Summary
| Name: | N-hexanoyl-L-homocysteine |
| Formula: | C10 H19 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 233.328 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-hexanoyl-L-homocysteine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-(hexanoylamino)-4-sulfanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)CCCCC)CCS |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC(=O)N[C@@H](CCS)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCC(=O)N[CH](CCS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)N[C@@H](CCS)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)NC(CCS)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H19NO3S/c1-2-3-4-5-9(12)11-8(6-7-15)10(13)14/h8,15H,2-7H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | HAUWXQBEWNVHPD-QMMMGPOBSA-N |
