L8B
Summary
| Name: | (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE |
| Formula: | C21 H22 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 410.423 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-4-hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide |
| OpenEye OEToolkits | 1.9.2 | (2S,4R)-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N3C(C(=O)NCc2ccc(c1ocnc1)cc2)CC(O)C3)Cc4onc(c4)C |
| InChI | InChI | 1.03 | InChI=1S/C21H22N4O5/c1-13-6-17(30-24-13)8-20(27)25-11-16(26)7-18(25)21(28)23-9-14-2-4-15(5-3-14)19-10-22-12-29-19/h2-6,10,12,16,18,26H,7-9,11H2,1H3,(H,23,28)/t16-,18+/m1/s1 |
| InChIKey | InChI | 1.03 | HFCLIEBJTGJKSV-AEFFLSMTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc3ccc(cc3)c4ocnc4)on1 |
| SMILES | CACTVS | 3.385 | Cc1cc(CC(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4ocnc4)on1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4cnco4)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3)c4cnco4)O |
