2-azanyl-N-[4-[4-azanyl-3,5-bis(bromanyl)phenyl]-1,4-bis(oxidanylidene)-1-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butan-2-yl]-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanamide

Systemtic Name: 2-azanyl-N-[4-[4-azanyl-3,5-bis(bromanyl)phenyl]-1,4-bis(oxidanylidene)-1-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butan-2-yl]-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanamide Openeye Name: 2-amino-N-[3-(4-amino-3,5-dibromo-phenyl)-3-oxo-1-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]propyl]-3-(3,5-dibromo-4-hydroxy-phenyl)propanamide CAS Name: 2-amino-N-[4-(4-amino-3,5-dibromophenyl)-1,4-dioxo-1-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinyl]butan-2-yl]-3-(3,5-dibromo-4-hydroxyphenyl)propanamide IUPAC Name: 2-amino-N-[4-(4-amino-3,5-dibromophenyl)-1,4-dioxo-1-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butan-2-yl]-3-(3,5-dibromo-4-hydroxyphenyl)propanamide Traditional Name: 2-amino-N-[3-(4-amino-3,5-dibromo-phenyl)-3-keto-1-[4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]propyl]-3-(3,5-dibromo-4-hydroxy-phenyl)propionamide Formula: C33H34Br4N6O5 MolecularWeight: 914.27626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC3=CC=CC=C3NC2=O)C(=O)C(CC(=O)C4=CC(=C(C(=C4)Br)N)Br)NC(=O)C(CC5=CC(=C(C(=C5)Br)O)Br)N

Isomeric SMILES

C1CN(CCC1N2CCC3=CC=CC=C3NC2=O)C(=O)C(CC(=O)C4=CC(=C(C(=C4)Br)N)Br)NC(=O)C(CC5=CC(=C(C(=C5)Br)O)Br)N

InChI

InChI=1S/C33H34Br4N6O5/c34-21-14-19(15-22(35)29(21)39)28(44)16-27(40-31(46)25(38)13-17-11-23(36)30(45)24(37)12-17)32(47)42-8-6-20(7-9-42)43-10-5-18-3-1-2-4-26(18)41-33(43)48/h1-4,11-12,14-15,20,25,27,45H,5-10,13,16,38-39H2,(H,40,46)(H,41,48)