OPF
Summary
| Name: | (2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid |
| Synonyms: | N-enanthoyl-L-prolyl-L-phenylalanine |
| Formula: | C21 H30 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 374.474 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[[(2~{S})-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H30N2O4/c1-2-3-4-8-13-19(24)23-14-9-12-18(23)20(25)22-17(21(26)27)15-16-10-6-5-7-11-16/h5-7,10-11,17-18H,2-4,8-9,12-15H2,1H3,(H,22,25)(H,26,27)/t17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | KCUINPWAPBBNCA-ROUUACIJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCC(=O)N1CCC[CH]1C(=O)N[CH](Cc2ccccc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCC(=O)N1CCCC1C(=O)NC(Cc2ccccc2)C(=O)O |
