3-[6-(1-Hydroxyethyl)-18-[(2-Hydroxyphenyl)Methyl]-3-Methyl-12-Nonyl-2,5,8,14,17,20,23-Heptaoxo-15-Propan-2-Yl-13-Oxa-1,4,7,16,19,22-Hexazabicyclo[22.3.0]Heptacosan-21-Yl]Propanamide
[CAS# 74758-64-8]

Identification

• Name: 3-[6-(1-Hydroxyethyl)-18-[(2-Hydroxyphenyl)Methyl]-3-Methyl-12-Nonyl-2,5,8,14,17,20,23-Heptaoxo-15-Propan-2-Yl-13-Oxa-1,4,7,16,19,22-Hexazabicyclo[22.3.0]Heptacosan-21-Yl]Propanamide
• Synonyms: 3-[6-(1-Hydroxyethyl)-18-[(2-Hydroxyphenyl)Methyl]-15-Isopropyl-3-Methyl-12-Nonyl-2,5,8,14,17,20,23-Heptaoxo-13-Oxa-1,4,7,16,19,22-Hexazabicyclo[22.3.0]Heptacosan-21-Yl]Propanamide; 3-[18-(2-Hydroxybenzyl)-6-(1-Hydroxyethyl)-15-Isopropyl-2,5,8,14,17,20,23-Heptaketo-3-Methyl-12-Nonyl-13-Oxa-1,4,7,16,19,22-Hexazabicyclo[22.3.0]Heptacosan-21-Yl]Propionamide; Msd-A43f
• Molecular Formula: C₄₅H₇₁N₇O₁₁
• Molecular Weight: 886.10
• CAS Registry Number: 74758-64-8
• SMILES: C3=C(CC1NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)CCCC(OC(=O)C(NC1=O)C(C)C)CCCCCCCCC)C(O)C)C)CCC2)CCC(=O)N)C(=CC=C3)O
• InChI: 1S/C45H71N7O11/c1-6-7-8-9-10-11-12-18-31-19-15-22-37(56)50-39(29(5)53)43(60)47-28(4)44(61)52-25-16-20-34(52)42(59)48-32(23-24-36(46)55)40(57)49-33(26-30-17-13-14-21-35(30)54)41(58)51-38(27(2)3)45(62)63-31/h13-14,17,21,27-29,31-34,38-39,53-54H,6-12,15-16,18-20,22-26H2,1-5H3,(H2,46,55)(H,47,60)(H,48,59)(H,49,57)(H,50,56)(H,51,58)
• InChIKey: GKEPDKSOCWEGIT-UHFFFAOYSA-N