N-[2-azanyl-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoyl]-N-[6-azanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]-4,4-diphenyl-butanamide

Systemtic Name: N-[2-azanyl-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoyl]-N-[6-azanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]-4,4-diphenyl-butanamide Openeye Name: N-[2-amino-3-(3,5-dibromo-4-hydroxy-phenyl)propanoyl]-N-[5-amino-1-[4-(4-pyridyl)piperazine-1-carbonyl]pentyl]-4,4-diphenyl-butanamide CAS Name: N-[2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropyl]-N-[6-amino-1-oxo-1-(4-pyridin-4-yl-1-piperazinyl)hexan-2-yl]-4,4-diphenylbutanamide IUPAC Name: N-[2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoyl]-N-[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]-4,4-diphenylbutanamide Traditional Name: N-[2-amino-3-(3,5-dibromo-4-hydroxy-phenyl)propanoyl]-N-[5-amino-1-[4-(4-pyridyl)piperazine-1-carbonyl]pentyl]-4,4-diphenyl-butyramide Formula: C40H46Br2N6O4 MolecularWeight: 834.63904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)C(CCCCN)N(C(=O)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(CC5=CC(=C(C(=C5)Br)O)Br)N

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)C(CCCCN)N(C(=O)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(CC5=CC(=C(C(=C5)Br)O)Br)N

InChI

InChI=1S/C40H46Br2N6O4/c41-33-25-28(26-34(42)38(33)50)27-35(44)39(51)48(37(49)15-14-32(29-9-3-1-4-10-29)30-11-5-2-6-12-30)36(13-7-8-18-43)40(52)47-23-21-46(22-24-47)31-16-19-45-20-17-31/h1-6,9-12,16-17,19-20,25-26,32,35-36,50H,7-8,13-15,18,21-24,27,43-44H2