(E)-3-[(5aR,9aS)-9a-[(E)-3-[3-(4-azanylbutylamino)propylamino]-3-oxidanylidene-prop-1-enyl]-7-oxidanylidene-5a,6,8,9-tetrahydrodibenzofuran-2-yl]-N-[3-(4-azanylbutylamino)propyl]prop-2-enamide

Systemtic Name: (E)-3-[(5aR,9aS)-9a-[(E)-3-[3-(4-azanylbutylamino)propylamino]-3-oxidanylidene-prop-1-enyl]-7-oxidanylidene-5a,6,8,9-tetrahydrodibenzofuran-2-yl]-N-[3-(4-azanylbutylamino)propyl]prop-2-enamide Openeye Name: (E)-3-[(5aR,9aS)-9a-[(E)-3-[3-(4-aminobutylamino)propylamino]-3-oxo-prop-1-enyl]-7-oxo-5a,6,8,9-tetrahydrodibenzofuran-2-yl]-N-[3-(4-aminobutylamino)propyl]prop-2-enamide CAS Name: (E)-3-[(5aR,9aS)-9a-[(E)-3-[3-(4-aminobutylamino)propylamino]-3-oxoprop-1-enyl]-7-oxo-5a,6,8,9-tetrahydrodibenzofuran-2-yl]-N-[3-(4-aminobutylamino)propyl]-2-propenamide IUPAC Name: (E)-3-[(5aR,9aS)-9a-[(E)-3-[3-(4-aminobutylamino)propylamino]-3-oxoprop-1-enyl]-7-oxo-5a,6,8,9-tetrahydrodibenzofuran-2-yl]-N-[3-(4-aminobutylamino)propyl]prop-2-enamide Traditional Name: (E)-3-[(5aR,9aS)-9a-[(E)-3-[3-(4-aminobutylamino)propylamino]-3-keto-prop-1-enyl]-7-keto-5a,6,8,9-tetrahydrodibenzofuran-2-yl]-N-[3-(4-aminobutylamino)propyl]acrylamide Formula: C32H50N6O4 MolecularWeight: 582.7772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C(CC1=O)OC3=C2C=C(C=C3)C=CC(=O)NCCCNCCCCN)C=CC(=O)NCCCNCCCCN

Isomeric SMILES

C1C[C@]2([C@@H](CC1=O)OC3=C2C=C(C=C3)/C=C/C(=O)NCCCNCCCCN)/C=C/C(=O)NCCCNCCCCN

InChI

InChI=1S/C32H50N6O4/c33-15-1-3-17-35-19-5-21-37-30(40)10-8-25-7-9-28-27(23-25)32(13-11-26(39)24-29(32)42-28)14-12-31(41)38-22-6-20-36-18-4-2-16-34/h7-10,12,14,23,29,35-36H,1-6,11,13,15-22,24,33-34H2,(H,37,40)(H,38,41)/b10-8+,14-12+/t29-,32+/m1/s1