4CY
Summary
| Name: | nitrilo-L-methionine |
| Formula: | C5 H8 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 160.194 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | nitrilo-L-methionine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-4-thiocyanato-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CSCCC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCSC#N)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCSC#N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(CSC#N)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(CSC#N)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H8N2O2S/c6-3-10-2-1-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | JTTFTTBDRWNNMW-BYPYZUCNSA-N |
