3-(4-azanylbutyl)-18,24-bis(1-hydroxyethyl)-15-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-9,12,21-tris(phenylmethyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone

Systemtic Name: 3-(4-azanylbutyl)-18,24-bis(1-hydroxyethyl)-15-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-9,12,21-tris(phenylmethyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone Openeye Name: 3-(4-aminobutyl)-9,12,21-tribenzyl-18,24-bis(1-hydroxyethyl)-15-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone CAS Name: 3-(4-aminobutyl)-18,24-bis(1-hydroxyethyl)-15-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-9,12,21-tris(phenylmethyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone IUPAC Name: 3-(4-aminobutyl)-9,12,21-tribenzyl-18,24-bis(1-hydroxyethyl)-15-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone Traditional Name: 3-(4-aminobutyl)-9,12,21-tribenzyl-18,24-bis(1-hydroxyethyl)-6-(1H-indol-3-ylmethyl)-15-methylol-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-tetraquinone Formula: C55H68N10O11 MolecularWeight: 1045.18882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CO)C(C)O)CC6=CC=CC=C6)O

Isomeric SMILES

CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CO)C(C)O)CC6=CC=CC=C6)O

InChI

InChI=1S/C55H68N10O11/c1-32(67)46-54(75)62-43(28-36-20-10-5-11-21-36)52(73)65-47(33(2)68)55(76)63-45(31-66)53(74)60-42(27-35-18-8-4-9-19-35)49(70)59-41(26-34-16-6-3-7-17-34)50(71)61-44(29-37-30-57-39-23-13-12-22-38(37)39)51(72)58-40(48(69)64-46)24-14-15-25-56/h3-13,16-23,30,32-33,40-47,57,66-68H,14-15,24-29,31,56H2,1-2H3,(H,58,72)(H,59,70)(H,60,74)(H,61,71)(H,62,75)(H,63,76)(H,64,69)(H,65,73)