16-(4-Aminobutyl)-N-(1,3-Dihydroxy-2-Methylpropan-2-Yl)-13-(1-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# 150747-52-7]

Identification

• Name: 16-(4-Aminobutyl)-N-(1,3-Dihydroxy-2-Methylpropan-2-Yl)-13-(1-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)-13-(1-Hydroxyethyl)-N-[2-Hydroxy-1-(Hydroxymethyl)-1-Methyl-Ethyl]-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; 16-(4-Aminobutyl)-13-(1-Hydroxyethyl)-N-[2-Hydroxy-1-(Hydroxymethyl)-1-Methylethyl]-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; 16-(4-Aminobutyl)-22-(Benzyl)-13-(1-Hydroxyethyl)-N-(2-Hydroxy-1-Methyl-1-Methylol-Ethyl)-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
• Molecular Formula: C₄₅H₆₄N₈O₉S₂
• Molecular Weight: 925.17
• CAS Registry Number: 150747-52-7
• 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)NC(CO)(CO)C)CCCCC4)CC5=CC=CC=C5
• InChI: 1S/C45H64N8O9S2/c1-28(56)38-43(62)51-36(42(61)53-44(2,26-54)27-55)25-63-64-45(18-10-4-11-19-45)23-37(57)48-34(21-29-13-5-3-6-14-29)40(59)50-35(22-30-24-47-32-16-8-7-15-31(30)32)41(60)49-33(39(58)52-38)17-9-12-20-46/h3,5-8,13-16,24,28,33-36,38,47,54-56H,4,9-12,17-23,25-27,46H2,1-2H3,(H,48,57)(H,49,60)(H,50,59)(H,51,62)(H,52,58)(H,53,61)
• InChIKey: NJVMKJXFXIAJHE-UHFFFAOYSA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 1335.293°C at 760 mmHg (Cal.)
• Flash point: 761.358°C (Cal.)