R0E
Summary
| Name: | ProM-17 |
| Synonyms: | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid |
| Formula: | C14 H22 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 266.336 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H22N2O3/c1-9(2)7-11-4-3-10-5-6-15-13(10)14(19)16(11)8-12(17)18/h3-4,9-11,13,15H,5-8H2,1-2H3,(H,17,18)/t10-,11-,13-/m0/s1 |
| InChIKey | InChI | 1.03 | NOUQCZCUPJZTJH-GVXVVHGQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H]1C=C[C@H]2CCN[C@@H]2C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH]1C=C[CH]2CCN[CH]2C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H]1C=C[C@H]2CCN[C@@H]2C(=O)N1CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC1C=CC2CCNC2C(=O)N1CC(=O)O |
