methyl N-(6-azanylacridin-3-yl)-N-[3-[[4-[3-[(6-azanylacridin-3-yl)-methoxycarbonyl-amino]propylamino]-4-oxidanylidene-butanoyl]amino]propyl]carbamate

Systemtic Name: methyl N-(6-azanylacridin-3-yl)-N-[3-[[4-[3-[(6-azanylacridin-3-yl)-methoxycarbonyl-amino]propylamino]-4-oxidanylidene-butanoyl]amino]propyl]carbamate Openeye Name: methyl N-(6-aminoacridin-3-yl)-N-[3-[[4-[3-[(6-aminoacridin-3-yl)-methoxycarbonyl-amino]propylamino]-4-oxo-butanoyl]amino]propyl]carbamate CAS Name: N-(6-amino-3-acridinyl)-N-[3-[[4-[3-[(6-amino-3-acridinyl)-methoxycarbonylamino]propylamino]-1,4-dioxobutyl]amino]propyl]carbamic acid methyl ester IUPAC Name: methyl N-(6-aminoacridin-3-yl)-N-[3-[[4-[3-[(6-aminoacridin-3-yl)-methoxycarbonylamino]propylamino]-4-oxobutanoyl]amino]propyl]carbamate Traditional Name: N-(6-aminoacridin-3-yl)-N-[3-[[4-[3-[(6-aminoacridin-3-yl)-carbomethoxy-amino]propylamino]-4-keto-butanoyl]amino]propyl]carbamic acid methyl ester Formula: C40H42N8O6 MolecularWeight: 730.81148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(CCCNC(=O)CCC(=O)NCCCN(C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N)C(=O)OC)C4=CC5=C(C=C4)C=C6C=CC(=CC6=N5)N

Isomeric SMILES

COC(=O)N(CCCNC(=O)CCC(=O)NCCCN(C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N)C(=O)OC)C4=CC5=C(C=C4)C=C6C=CC(=CC6=N5)N

InChI

InChI=1S/C40H42N8O6/c1-53-39(51)47(31-11-7-27-19-25-5-9-29(41)21-33(25)45-35(27)23-31)17-3-15-43-37(49)13-14-38(50)44-16-4-18-48(40(52)54-2)32-12-8-28-20-26-6-10-30(42)22-34(26)46-36(28)24-32/h5-12,19-24H,3-4,13-18,41-42H2,1-2H3,(H,43,49)(H,44,50)