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

Systemtic Name: 3-(hydroxymethyl)-6,15-bis[(4-hydroxyphenyl)methyl]-12-methyl-9,18-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone Openeye Name: 3-(hydroxymethyl)-6,15-bis[(4-hydroxyphenyl)methyl]-9,18-diisopropyl-12-methyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone CAS Name: 3-(hydroxymethyl)-6,15-bis[(4-hydroxyphenyl)methyl]-12-methyl-9,18-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone IUPAC Name: 3-(hydroxymethyl)-6,15-bis[(4-hydroxyphenyl)methyl]-12-methyl-9,18-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone Traditional Name: 3,12-bis(4-hydroxybenzyl)-6,15-diisopropyl-9-methyl-18-methylol-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-triquinone Formula: C34H46N6O9 MolecularWeight: 682.76384

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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)CO)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)CO)CC3=CC=C(C=C3)O)C(C)C

InChI

InChI=1S/C34H46N6O9/c1-17(2)27-33(48)37-25(15-21-8-12-23(43)13-9-21)31(46)38-26(16-41)32(47)40-28(18(3)4)34(49)36-24(14-20-6-10-22(42)11-7-20)30(45)35-19(5)29(44)39-27/h6-13,17-19,24-28,41-43H,14-16H2,1-5H3,(H,35,45)(H,36,49)(H,37,48)(H,38,46)(H,39,44)(H,40,47)