11-[2-[6-[8-[6-[bis[2-oxidanylidene-2-(6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methyl-amino]octyl-methyl-amino]hexylamino]ethanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Systemtic Name: 11-[2-[6-[8-[6-[bis[2-oxidanylidene-2-(6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methyl-amino]octyl-methyl-amino]hexylamino]ethanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[2-[6-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methyl-amino]octyl-methyl-amino]hexylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[2-[6-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methylamino]octyl-methylamino]hexylamino]-1-oxoethyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-[2-[6-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methylamino]octyl-methylamino]hexylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-[2-[6-[8-[6-[bis[2-keto-2-(6-keto-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methyl-amino]octyl-methyl-amino]hexylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C64H77N13O6 MolecularWeight: 1124.37968

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3)CC(=O)N4C5=CC=CC=C5C(=O)NC6=C4N=CC=C6)CCCCCCNCC(=O)N7C8=CC=CC=C8C(=O)NC9=C7N=CC=C9

Isomeric SMILES

CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3)CC(=O)N4C5=CC=CC=C5C(=O)NC6=C4N=CC=C6)CCCCCCNCC(=O)N7C8=CC=CC=C8C(=O)NC9=C7N=CC=C9

InChI

InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)