N-[2-azanyl-3-[4-azanyl-3,5-bis(bromanyl)phenyl]propanoyl]-N-[6-azanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxamide

Systemtic Name: N-[2-azanyl-3-[4-azanyl-3,5-bis(bromanyl)phenyl]propanoyl]-N-[6-azanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxamide Openeye Name: N-[2-amino-3-(4-amino-3,5-dibromo-phenyl)propanoyl]-N-[5-amino-1-[4-(4-pyridyl)piperazine-1-carbonyl]pentyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide CAS Name: N-[2-amino-3-(4-amino-3,5-dibromophenyl)-1-oxopropyl]-N-[6-amino-1-oxo-1-(4-pyridin-4-yl-1-piperazinyl)hexan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarboxamide IUPAC Name: N-[2-amino-3-(4-amino-3,5-dibromophenyl)propanoyl]-N-[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide Traditional Name: N-[2-amino-3-(4-amino-3,5-dibromo-phenyl)propanoyl]-N-[5-amino-1-[4-(4-pyridyl)piperazine-1-carbonyl]pentyl]-4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carboxamide Formula: C37H46Br2N10O4 MolecularWeight: 854.63374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)N(C(CCCCN)C(=O)N4CCN(CC4)C5=CC=NC=C5)C(=O)C(CC6=CC(=C(C(=C6)Br)N)Br)N

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)N(C(CCCCN)C(=O)N4CCN(CC4)C5=CC=NC=C5)C(=O)C(CC6=CC(=C(C(=C6)Br)N)Br)N

InChI

InChI=1S/C37H46Br2N10O4/c38-27-21-24(22-28(39)33(27)42)23-29(41)34(50)49(37(53)47-15-10-26(11-16-47)48-31-6-2-1-5-30(31)44-36(48)52)32(7-3-4-12-40)35(51)46-19-17-45(18-20-46)25-8-13-43-14-9-25/h1-2,5-6,8-9,13-14,21-22,26,29,32H,3-4,7,10-12,15-20,23,40-42H2,(H,44,52)