0G5
Summary
| Name: | N~5~-(3-iodobenzoyl)-L-ornithine |
| Formula: | C12 H15 I N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 362.164 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-(3-iodobenzoyl)-L-ornithine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-5-[(3-iodanylphenyl)carbonylamino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1cc(I)ccc1)NCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H15IN2O3/c13-9-4-1-3-8(7-9)11(16)15-6-2-5-10(14)12(17)18/h1,3-4,7,10H,2,5-6,14H2,(H,15,16)(H,17,18)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | ZXXSCSOQVZWLAM-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCCNC(=O)c1cccc(I)c1)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCCNC(=O)c1cccc(I)c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)I)C(=O)NCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)I)C(=O)NCCCC(C(=O)O)N |
