0Z4
Summary
| Name: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide |
| Formula: | C23 H36 F3 N4 O3 |
| Formal charge: | 1 |
| Formula weight: | 473.552 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide |
| OpenEye OEToolkits | 1.5.0 | [(5S)-6-[[(2S)-4-methyl-1-oxo-1-[(4-propan-2-ylphenyl)amino]pentan-2-yl]amino]-6-oxo-5-(2,2,2-trifluoroethanoylamino)hexyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ccc(cc1)C(C)C)C(NC(=O)C(NC(=O)C(F)(F)F)CCCC[NH3+])CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1)C(C)C |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](NC(=O)[CH](CCCC[NH3+])NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H](C(=O)Nc1ccc(cc1)C(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(=O)Nc1ccc(cc1)C(C)C)NC(=O)C(CCCC[NH3+])NC(=O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C23H35F3N4O3/c1-14(2)13-19(21(32)28-17-10-8-16(9-11-17)15(3)4)29-20(31)18(7-5-6-12-27)30-22(33)23(24,25)26/h8-11,14-15,18-19H,5-7,12-13,27H2,1-4H3,(H,28,32)(H,29,31)(H,30,33)/p+1/t18-,19-/m0/s1 |
| InChIKey | InChI | 1.03 | OSCPPTDAQZTYFO-OALUTQOASA-O |
