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-fluorophenyl)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-fluorophenyl)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-fluorophenyl)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-fluorophenyl)butanamide 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-fluorophenyl)butanamide 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-fluorophenyl)butyramide Formula: C34H41Br2FN6O4 MolecularWeight: 776.533543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)C(CCCCN)N(C(=O)CCCC3=CC=C(C=C3)F)C(=O)C(CC4=CC(=C(C(=C4)Br)O)Br)N

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)C(CCCCN)N(C(=O)CCCC3=CC=C(C=C3)F)C(=O)C(CC4=CC(=C(C(=C4)Br)O)Br)N

InChI

InChI=1S/C34H41Br2FN6O4/c35-27-20-24(21-28(36)32(27)45)22-29(39)33(46)43(31(44)6-3-4-23-7-9-25(37)10-8-23)30(5-1-2-13-38)34(47)42-18-16-41(17-19-42)26-11-14-40-15-12-26/h7-12,14-15,20-21,29-30,45H,1-6,13,16-19,22,38-39H2