16-(4-Aminobutyl)-13-(1-Hydroxyethyl)-N-(2-Hydroxyethyl)-19-(1H-Indol-3-Ylmethyl)-12,15,18,21,24-Pentaoxo-22-(Phenylmethyl)-7,8-Dithia-11,14,17,20,23-Pentazaspiro[5.19]Pentacosane-10-Carboxamide
[CAS# 150747-53-8]

Identification

• Name: 16-(4-Aminobutyl)-13-(1-Hydroxyethyl)-N-(2-Hydroxyethyl)-19-(1H-Indol-3-Ylmethyl)-12,15,18,21,24-Pentaoxo-22-(Phenylmethyl)-7,8-Dithia-11,14,17,20,23-Pentazaspiro[5.19]Pentacosane-10-Carboxamide
• Synonyms: 16-(4-Aminobutyl)-22-(Benzyl)-13-(1-Hydroxyethyl)-N-(2-Hydroxyethyl)-19-(1H-Indol-3-Ylmethyl)-12,15,18,21,24-Pentaketo-7,8-Dithia-11,14,17,20,23-Pentazaspiro[5.19]Pentacosane-10-Carboxamide; Ass 52; Ass-52
• Molecular Formula: C₄₃H₆₀N₈O₈S₂
• Molecular Weight: 881.12
• CAS Registry Number: 150747-53-8
• SMILES: C1=C(C2=C([NH]1)C=CC=C2)CC3NC(=O)C(NC(=O)CC4(SSCC(NC(=O)C(NC(=O)C(NC3=O)CCCCN)C(O)C)C(=O)NCCO)CCCCC4)CC5=CC=CC=C5
• InChI: 1S/C43H60N8O8S2/c1-27(53)37-42(59)50-35(38(55)45-20-21-52)26-60-61-43(17-9-3-10-18-43)24-36(54)47-33(22-28-12-4-2-5-13-28)40(57)49-34(23-29-25-46-31-15-7-6-14-30(29)31)41(58)48-32(39(56)51-37)16-8-11-19-44/h2,4-7,12-15,25,27,32-35,37,46,52-53H,3,8-11,16-24,26,44H2,1H3,(H,45,55)(H,47,54)(H,48,58)(H,49,57)(H,50,59)(H,51,56)
• InChIKey: FTKJTBHBOQHLOW-UHFFFAOYSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 1297.05°C at 760 mmHg (Cal.)
• Flash point: 738.229°C (Cal.)