Obsolete: 7DI
Summary
| Name: | PF-07321332, bound form |
| Formula: | C23 H36 F3 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 503.558 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{S},5~{S})-~{N}-[(2~{S})-1-azanylidene-5-(ethylamino)-5-oxidanylidene-pentan-2-yl]-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H36F3N5O4/c1-7-28-14(32)9-8-12(10-27)29-18(33)16-15-13(22(15,5)6)11-31(16)19(34)17(21(2,3)4)30-20(35)23(24,25)26/h10,12-13,15-17,27H,7-9,11H2,1-6H3,(H,28,32)(H,29,33)(H,30,35)/b27-10+/t12-,13-,15-,16-,17+/m0/s1 |
| InChIKey | InChI | 1.03 | WEYZEMSNNHTEGV-GCHMPGTISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)CC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)C2(C)C)C=N |
| SMILES | CACTVS | 3.385 | CCNC(=O)CC[CH](NC(=O)[CH]1[CH]2[CH](CN1C(=O)[CH](NC(=O)C(F)(F)F)C(C)(C)C)C2(C)C)C=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C/[C@H](CCC(=O)NCC)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)CCC(C=N)NC(=O)C1C2C(C2(C)C)CN1C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F |
