PRD_001020
Summary
| Name: | GDC0152 |
| Formula: | C25 H34 N6 O3 S |
| Fomular weight: | 498.641 |
| Component type: | peptide-like |
| Polymer sequences: | MAA, CHG, PRO, 0DQ |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-(4-phenyl-1,2,3-thiadiazol-5-yl)-L-prolinamide |
| OpenEye OEToolkits | 1.7.6 | (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]ethanoyl]-N-(4-phenyl-1,2,3-thiadiazol-5-yl)pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)N1CCCC1C(=O)Nc3snnc3c2ccccc2)C4CCCCC4)C(NC)C |
| InChI | InChI | 1.03 | InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19+,21+/m1/s1 |
| InChIKey | InChI | 1.03 | WZRFLSDVFPIXOV-PBEJRMEISA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)Nc3snnc3c4ccccc4 |
| SMILES | CACTVS | 3.370 | CN[CH](C)C(=O)N[CH](C1CCCCC1)C(=O)N2CCC[CH]2C(=O)Nc3snnc3c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)Nc3c(nns3)c4ccccc4)NC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)Nc3c(nns3)c4ccccc4)NC |
