CIR
Summary
| Name: | CITRULLINE |
| Formula: | C6 H13 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 175.186 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-carbamoyl-L-ornithine |
| OpenEye OEToolkits | 1.7.0 | (2S)-5-(aminocarbonylamino)-2-azanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCNC(=O)N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCCNC(N)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCCNC(N)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(C[C@@H](C(=O)O)N)CNC(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(CC(C(=O)O)N)CNC(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | RHGKLRLOHDJJDR-BYPYZUCNSA-N |
