Pecocycline
[CAS# 15301-82-3]

Identification

• Name: Pecocycline
• Synonyms: 1-[[[(Z)-[(4S,4As,5As,6S,12As)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-6-Methyl-1,3,12-Trioxo-4,4A,5,5A-Tetrahydrotetracen-2-Ylidene]-Hydroxy-Methyl]Amino]Methyl]Piperidine-3-Carboxylic Acid; 1-[[[(Z)-[(4S,4As,5As,6S,12As)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-6-Methyl-1,3,12-Trioxo-4,4A,5,5A-Tetrahydrotetracen-2-Ylidene]-Hydroxymethyl]Amino]Methyl]-3-Piperidinecarboxylic Acid; 1-[[[(Z)-[(4S,4As,5As,6S,12As)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-1,3,12-Triketo-6-Methyl-4,4A,5,5A-Tetrahydrotetracen-2-Ylidene]-Hydroxy-Methyl]Amino]Methyl]Nipecotic Acid
• Molecular Formula: C₂₉H₃₅N₃O₁₀
• Molecular Weight: 585.61
• CAS Registry Number: 15301-82-3
• SMILES: [C@@H]23C[C@@H]1[C@](O)(C5=C(C(=C1C(=O)[C@]2(O)C(=O)\C(C(=O)[C@H]3N(C)C)=C(/O)NCN4CC(CCC4)C(O)=O)O)C(=CC=C5)O)C
• InChI: 1S/C29H35N3O10/c1-28(41)14-7-4-8-17(33)18(14)22(34)19-15(28)10-16-21(31(2)3)23(35)20(25(37)29(16,42)24(19)36)26(38)30-12-32-9-5-6-13(11-32)27(39)40/h4,7-8,13,15-16,21,30,33-34,38,41-42H,5-6,9-12H2,1-3H3,(H,39,40)/b26-20-/t13?,15-,16-,21-,28+,29-/m0/s1
• InChIKey: JATSTZZYIRJJHS-GXBDPCFXSA-N