2-[8,17-bis[(4-hydroxyphenyl)methyl]-11-methyl-3,6,9,12,15,18-hexakis(oxidanylidene)-5,14-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]ethanamide

Systemtic Name: 2-[8,17-bis[(4-hydroxyphenyl)methyl]-11-methyl-3,6,9,12,15,18-hexakis(oxidanylidene)-5,14-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]ethanamide Openeye Name: 2-[8,17-bis[(4-hydroxyphenyl)methyl]-5,14-diisopropyl-11-methyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide CAS Name: 2-[8,17-bis[(4-hydroxyphenyl)methyl]-11-methyl-3,6,9,12,15,18-hexaoxo-5,14-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide IUPAC Name: 2-[8,17-bis[(4-hydroxyphenyl)methyl]-11-methyl-3,6,9,12,15,18-hexaoxo-5,14-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide Traditional Name: 2-[8,17-bis(4-hydroxybenzyl)-5,14-diisopropyl-3,6,9,12,15,18-hexaketo-11-methyl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide Formula: C35H47N7O9 MolecularWeight: 709.78918

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)C(C)C)CC(=O)N)CC3=CC=C(C=C3)O)C(C)C

Isomeric SMILES

CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)C(C)C)CC(=O)N)CC3=CC=C(C=C3)O)C(C)C

InChI

InChI=1S/C35H47N7O9/c1-17(2)28-34(50)40-25(15-21-8-12-23(44)13-9-21)32(48)38-26(16-27(36)45)33(49)42-29(18(3)4)35(51)39-24(14-20-6-10-22(43)11-7-20)31(47)37-19(5)30(46)41-28/h6-13,17-19,24-26,28-29,43-44H,14-16H2,1-5H3,(H2,36,45)(H,37,47)(H,38,48)(H,39,51)(H,40,50)(H,41,46)(H,42,49)