| PDB CCD ID: | V7A |
| Number of entries in FURNA: | 8 |
| Chemical formula: | C24 H29 N3 O8 |
| InChI: | InChI=1S/C24H29N3O8/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33/h5-6,11,13,18,28,30-31,34H,7-9H2,1-4H3,(H2,25,33)/t11-,13-,18-,24-/m0/s1 |
| InChIKey: | PQJQFLNBMSCUSH-SBAJWEJLSA-N |
| SMILES: | CN(C)C1C2CC3Cc4c(ccc(c4C(=O)C3=C(C2(C(=O)C(=C1O)C(=O)N)O)O)O)CN(C)OC; CON(C)Cc1ccc(O)c2C(=O)C3=C(O)[C]4(O)[CH](C[CH]3Cc12)[CH](N(C)C)C(=C(C(N)=O)C4=O)O; c1(ccc(O)c2c1CC3C(C2=O)=C(O)C4(C(C3)C(C(=C(C4=O)C(N)=O)O)N(C)C)O)CN(C)OC; CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)CN(C)OC; CON(C)Cc1ccc(O)c2C(=O)C3=C(O)[C@@]4(O)[C@@H](C[C@@H]3Cc12)[C@H](N(C)C)C(=C(C(N)=O)C4=O)O |
| Name: | Sarecycline |
| ChEMBL: | CHEMBL2364632 |
| DrugBank: | DB12035 |
| ZINC: | ZINC000072319783 |
Reference: