4-[[2-[bis[2-[ethanoyl-[[4-[2-(1,4,7-triazonan-1-yl)ethylcarbamoyl]phenyl]methyl]amino]ethyl]amino]ethyl-ethanoyl-amino]methyl]-N-[2-(1,4,7-triazonan-1-yl)ethyl]benzamide

Systemtic Name: 4-[[2-[bis[2-[ethanoyl-[[4-[2-(1,4,7-triazonan-1-yl)ethylcarbamoyl]phenyl]methyl]amino]ethyl]amino]ethyl-ethanoyl-amino]methyl]-N-[2-(1,4,7-triazonan-1-yl)ethyl]benzamide Openeye Name: 4-[[acetyl-[2-[bis[2-[acetyl-[[4-[2-(1,4,7-triazonan-1-yl)ethylcarbamoyl]phenyl]methyl]amino]ethyl]amino]ethyl]amino]methyl]-N-[2-(1,4,7-triazonan-1-yl)ethyl]benzamide CAS Name: 4-[[acetyl-[2-[bis[2-[acetyl-[[4-[oxo-[2-(1,4,7-triazonan-1-yl)ethylamino]methyl]phenyl]methyl]amino]ethyl]amino]ethyl]amino]methyl]-N-[2-(1,4,7-triazonan-1-yl)ethyl]benzamide IUPAC Name: 4-[[acetyl-[2-[bis[2-[acetyl-[[4-[2-(1,4,7-triazonan-1-yl)ethylcarbamoyl]phenyl]methyl]amino]ethyl]amino]ethyl]amino]methyl]-N-[2-(1,4,7-triazonan-1-yl)ethyl]benzamide Traditional Name: 4-[[acetyl-[2-[bis[2-[acetyl-[4-[2-(1,4,7-triazonan-1-yl)ethylcarbamoyl]benzyl]amino]ethyl]amino]ethyl]amino]methyl]-N-[2-(1,4,7-triazonan-1-yl)ethyl]benzamide Formula: C60H96N16O6 MolecularWeight: 1137.50784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCN(CCN(CC1=CC=C(C=C1)C(=O)NCCN2CCNCCNCC2)C(=O)C)CCN(CC3=CC=C(C=C3)C(=O)NCCN4CCNCCNCC4)C(=O)C)CC5=CC=C(C=C5)C(=O)NCCN6CCNCCNCC6

Isomeric SMILES

CC(=O)N(CCN(CCN(CC1=CC=C(C=C1)C(=O)NCCN2CCNCCNCC2)C(=O)C)CCN(CC3=CC=C(C=C3)C(=O)NCCN4CCNCCNCC4)C(=O)C)CC5=CC=C(C=C5)C(=O)NCCN6CCNCCNCC6

InChI

InChI=1S/C60H96N16O6/c1-49(77)74(46-52-4-10-55(11-5-52)58(80)67-28-37-70-31-22-61-16-17-62-23-32-70)43-40-73(41-44-75(50(2)78)47-53-6-12-56(13-7-53)59(81)68-29-38-71-33-24-63-18-19-64-25-34-71)42-45-76(51(3)79)48-54-8-14-57(15-9-54)60(82)69-30-39-72-35-26-65-20-21-66-27-36-72/h4-15,61-66H,16-48H2,1-3H3,(H,67,80)(H,68,81)(H,69,82)