N-aminocarbonyl-2-azanyl-N-[6-azanyl-1-[2-[2-(3-fluorophenyl)ethyl]-4-pyridin-4-yl-piperazin-1-yl]-1-oxidanylidene-hexan-2-yl]-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanamide

Systemtic Name: N-aminocarbonyl-2-azanyl-N-[6-azanyl-1-[2-[2-(3-fluorophenyl)ethyl]-4-pyridin-4-yl-piperazin-1-yl]-1-oxidanylidene-hexan-2-yl]-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanamide Openeye Name: 2-amino-N-[5-amino-1-[2-[2-(3-fluorophenyl)ethyl]-4-(4-pyridyl)piperazine-1-carbonyl]pentyl]-N-carbamoyl-3-(3,5-dibromo-4-hydroxy-phenyl)propanamide CAS Name: 2-amino-N-[6-amino-1-[2-[2-(3-fluorophenyl)ethyl]-4-pyridin-4-yl-1-piperazinyl]-1-oxohexan-2-yl]-N-carbamoyl-3-(3,5-dibromo-4-hydroxyphenyl)propanamide IUPAC Name: 2-amino-N-[6-amino-1-[2-[2-(3-fluorophenyl)ethyl]-4-pyridin-4-ylpiperazin-1-yl]-1-oxohexan-2-yl]-N-carbamoyl-3-(3,5-dibromo-4-hydroxyphenyl)propanamide Traditional Name: 2-amino-N-[5-amino-1-[2-[2-(3-fluorophenyl)ethyl]-4-(4-pyridyl)piperazine-1-carbonyl]pentyl]-N-carbamoyl-3-(3,5-dibromo-4-hydroxy-phenyl)propionamide Formula: C33H40Br2FN7O4 MolecularWeight: 777.521603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=CC=NC=C2)CCC3=CC(=CC=C3)F)C(=O)C(CCCCN)N(C(=O)C(CC4=CC(=C(C(=C4)Br)O)Br)N)C(=O)N

Isomeric SMILES

C1CN(C(CN1C2=CC=NC=C2)CCC3=CC(=CC=C3)F)C(=O)C(CCCCN)N(C(=O)C(CC4=CC(=C(C(=C4)Br)O)Br)N)C(=O)N

InChI

InChI=1S/C33H40Br2FN7O4/c34-26-17-22(18-27(35)30(26)44)19-28(38)31(45)43(33(39)47)29(6-1-2-11-37)32(46)42-15-14-41(24-9-12-40-13-10-24)20-25(42)8-7-21-4-3-5-23(36)16-21/h3-5,9-10,12-13,16-18,25,28-29,44H,1-2,6-8,11,14-15,19-20,37-38H2,(H2,39,47)