2-[3-[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]propyl]guanidine

Systemtic Name: 2-[3-[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]propyl]guanidine Openeye Name: 2-[3-[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]propyl]guanidine CAS Name: 2-[3-[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]propyl]guanidine IUPAC Name: 2-[3-[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]propyl]guanidine Traditional Name: 2-[3-[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]propyl]guanidine Formula: C37H53N9O8 MolecularWeight: 751.87222

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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)CCCN=C(N)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)CCCN=C(N)N)CC3=CC=C(C=C3)O)C(C)C

InChI

InChI=1S/C37H53N9O8/c1-19(2)29-35(53)44-28(18-23-10-14-25(48)15-11-23)34(52)42-26(7-6-16-40-37(38)39)32(50)46-30(20(3)4)36(54)43-27(17-22-8-12-24(47)13-9-22)33(51)41-21(5)31(49)45-29/h8-15,19-21,26-30,47-48H,6-7,16-18H2,1-5H3,(H,41,51)(H,42,52)(H,43,54)(H,44,53)(H,45,49)(H,46,50)(H4,38,39,40)