YZE
Summary
| Name: | N~2~-{[(1S)-1-carboxybut-3-en-1-yl]carbamoyl}-N~6~-[(4-iodophenyl)carbonyl]-L-lysine |
| Formula: | C19 H24 I N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 517.315 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | N~2~-{[(1S)-1-carboxybut-3-en-1-yl]carbamoyl}-N~6~-[(4-iodophenyl)carbonyl]-L-lysine |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-[[(2S)-1-hydroxy-1-oxo-pent-4-en-2-yl]carbamoylamino]-6-[(4-iodophenyl)carbonylamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(c1ccc(I)cc1)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)C/C=C |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC=C)C(O)=O |
| SMILES | CACTVS | 3.352 | OC(=O)[CH](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[CH](CC=C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C=CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C=CCC(C(=O)O)NC(=O)NC(CCCCNC(=O)c1ccc(cc1)I)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C19H24IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h2,7-10,14-15H,1,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1 |
| InChIKey | InChI | 1.03 | CPITYBQMVPBERS-GJZGRUSLSA-N |
