Leinamycin
[CAS# 120500-15-4]

Identification

• Name: Leinamycin
• Synonyms: (9Z,13Z,15Z)-4',11-Dihydroxy-2,4',9-Trimethyl-1'-Oxo-Spiro[19-Thia-3,20-Diazabicyclo[15.2.1]Icosa-1(20),9,13,15,17-Pentaene-6,5'-Dithiolane]-3',4,12-Trione; (9Z,13Z,15Z)-4',11-Dihydroxy-1'-Keto-2,4',9-Trimethyl-Spiro[19-Thia-3,20-Diazabicyclo[15.2.1]Icosa-1(20),9,13,15,17-Pentaene-6,5'-Dithiolane]-3',4,12-Trione; (9'Z,13'Z,15'Z)-4,11'-Dihydroxy-2',4,9'-Trimethyl-1-Oxo-Spiro[1,2-Dithiolane-5,6'-19-Thia-3,20-Diazabicyclo[15.2.1]Icosa-1(20),9,13,15,17-Pentaene]-3,4',12'-Trione
• Molecular Formula: C₂₂H₂₆N₂O₆S₃
• Molecular Weight: 510.64
• CAS Registry Number: 120500-15-4
• SMILES: CC1NC(=O)CC3(CCC(=C\C(O)C(=O)\C=C/C=C\C2=CSC1=N2)/C)[S](=O)SC(=O)C3(C)O
• InChI: 1S/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5-,13-10-
• InChIKey: ZHTRILQJTPJGNK-GZTIPBDCSA-N

Properties

• Density: 1.485g/cm³ (Cal.)