26-(2'-Aminoethylthio)tetrahydroteleocidin A-2
[CAS# 117490-45-6]

Identification

• Name: 26-(2'-Aminoethylthio)tetrahydroteleocidin A-2
• Synonyms: 26-Att-A2; 3H-Pyrrolo(4,3,2-Gh)-1,4-Benzodiazonin-3-One, 9-(5-((2-Aminoethyl)Thio)-1-Ethyl-1,5-Dimethylhexyl)-1,2,4,5,6,8-Hexahydro-4-(Hydroxymethyl)-1-Methyl-2-(1-Methylethyl)-, (2S-(2R*,5R*,9(S*)))-
• Molecular Formula: C₂₉H₄₈N₄O₂S
• Molecular Weight: 516.78
• CAS Registry Number: 117490-45-6
• SMILES: C1=C(C3=C2C(=C1)N(C(C(=O)NC(CC2=C[NH]3)CO)C(C)C)C)C(CCCC(SCCN)(C)C)(CC)C
• InChI: 1S/C29H48N4O2S/c1-8-29(6,13-9-12-28(4,5)36-15-14-30)22-10-11-23-24-20(17-31-25(22)24)16-21(18-34)32-27(35)26(19(2)3)33(23)7/h10-11,17,19,21,26,31,34H,8-9,12-16,18,30H2,1-7H3,(H,32,35)
• InChIKey: JGKQSLZAYVNMOM-UHFFFAOYSA-N

Properties

• Density: 1.088g/cm³ (Cal.)
• Boiling point: 736.776°C at 760 mmHg (Cal.)
• Flash point: 399.388°C (Cal.)