N-[(2S)-3-(4-hydroxyphenyl)-1-[3-[6-[(2-methoxyphenyl)methylamino]hexyl-[8-[6-[(2-methoxyphenyl)methylamino]hexylamino]octyl]amino]propylamino]-1-oxidanylidene-propan-2-yl]butanamide tetrahydrochloride

Systemtic Name: N-[(2S)-3-(4-hydroxyphenyl)-1-[3-[6-[(2-methoxyphenyl)methylamino]hexyl-[8-[6-[(2-methoxyphenyl)methylamino]hexylamino]octyl]amino]propylamino]-1-oxidanylidene-propan-2-yl]butanamide tetrahydrochloride Openeye Name: N-[(1S)-1-[(4-hydroxyphenyl)methyl]-2-[3-[6-[(2-methoxyphenyl)methylamino]hexyl-[8-[6-[(2-methoxyphenyl)methylamino]hexylamino]octyl]amino]propylamino]-2-oxo-ethyl]butanamide tetrahydrochloride CAS Name: N-[(2S)-3-(4-hydroxyphenyl)-1-[3-[6-[(2-methoxyphenyl)methylamino]hexyl-[8-[6-[(2-methoxyphenyl)methylamino]hexylamino]octyl]amino]propylamino]-1-oxopropan-2-yl]butanamide tetrahydrochloride IUPAC Name: N-[(2S)-3-(4-hydroxyphenyl)-1-[3-[6-[(2-methoxyphenyl)methylamino]hexyl-[8-[6-[(2-methoxyphenyl)methylamino]hexylamino]octyl]amino]propylamino]-1-oxopropan-2-yl]butanamide tetrahydrochloride Traditional Name: N-[(1S)-1-(4-hydroxybenzyl)-2-keto-2-[3-[6-(o-anisylamino)hexyl-[8-[6-(o-anisylamino)hexylamino]octyl]amino]propylamino]ethyl]butyramide tetrahydrochloride Formula: C52H88Cl4N6O5 MolecularWeight: 1019.10432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCN(CCCCCCCCNCCCCCCNCC2=CC=CC=C2OC)CCCCCCNCC3=CC=CC=C3OC.Cl.Cl.Cl.Cl

Isomeric SMILES

CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCCN(CCCCCCCCNCCCCCCNCC2=CC=CC=C2OC)CCCCCCNCC3=CC=CC=C3OC.Cl.Cl.Cl.Cl

InChI

InChI=1S/C52H84N6O5.4ClH/c1-4-24-51(60)57-48(41-44-29-31-47(59)32-30-44)52(61)56-37-23-40-58(39-22-12-10-20-36-55-43-46-26-14-16-28-50(46)63-3)38-21-11-6-5-7-17-33-53-34-18-8-9-19-35-54-42-45-25-13-15-27-49(45)62-2;;;;/h13-16,25-32,48,53-55,59H,4-12,17-24,33-43H2,1-3H3,(H,56,61)(H,57,60);4*1H/t48-;;;;/m0..../s1