| FADB-China ID | P0073 |
| Molecular Name | 4-Epi-Vancosaminyl Derivative of Vancomycin |
| Basis for prediction |
Vancomycin |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.8619 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 0.9621 |
| Similarity (based on MCS) | 0.9099 |
| 2D Structure |  |
| SMILES | C[NH2+]C(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)([NH3+])C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)([NH3+])C(O)C(C)O2)Oc2ccc(cc2Cl)C1O |
| CFM-ID 3.0 (Copy SMILES to the website's input box) | URL Link |
| Update Date | Jul 30, 2019 14:16 |