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-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide

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-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide 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-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide 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-(1,3-benzodioxol-5-yl)-1-piperazinecarboxamide 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-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide 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-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide Formula: C36H44Br2N8O6 MolecularWeight: 844.59256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)C(CCCCN)N(C(=O)C(CC3=CC(=C(C(=C3)Br)O)Br)N)C(=O)N4CCN(CC4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)C(CCCCN)N(C(=O)C(CC3=CC(=C(C(=C3)Br)O)Br)N)C(=O)N4CCN(CC4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C36H44Br2N8O6/c37-27-19-24(20-28(38)33(27)47)21-29(40)34(48)46(36(50)45-17-13-43(14-18-45)26-4-5-31-32(22-26)52-23-51-31)30(3-1-2-8-39)35(49)44-15-11-42(12-16-44)25-6-9-41-10-7-25/h4-7,9-10,19-20,22,29-30,47H,1-3,8,11-18,21,23,39-40H2