W9J
Summary
| Name: | N-carbamoyl-L-methionine |
| Formula: | C6 H12 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 192.236 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-carbamoyl-L-methionine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(aminocarbonylamino)-4-methylsulfanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(NC(C(O)=O)CCSC)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O3S/c1-12-3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | DEWDMTSMCKXBNP-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSCC[C@H](NC(N)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CSCC[CH](NC(N)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSCC[C@@H](C(=O)O)NC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSCCC(C(=O)O)NC(=O)N |
