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

Systemtic Name: N-aminocarbonyl-2-azanyl-N-[6-azanyl-1-oxidanylidene-1-(2-propyl-4-pyridin-4-yl-piperazin-1-yl)hexan-2-yl]-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanamide Openeye Name: 2-amino-N-[5-amino-1-[2-propyl-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-oxo-1-(2-propyl-4-pyridin-4-yl-1-piperazinyl)hexan-2-yl]-N-carbamoyl-3-(3,5-dibromo-4-hydroxyphenyl)propanamide IUPAC Name: 2-amino-N-[6-amino-1-oxo-1-(2-propyl-4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]-N-carbamoyl-3-(3,5-dibromo-4-hydroxyphenyl)propanamide Traditional Name: 2-amino-N-[5-amino-1-[2-propyl-4-(4-pyridyl)piperazine-1-carbonyl]pentyl]-N-carbamoyl-3-(3,5-dibromo-4-hydroxy-phenyl)propionamide Formula: C28H39Br2N7O4 MolecularWeight: 697.46176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CN(CCN1C(=O)C(CCCCN)N(C(=O)C(CC2=CC(=C(C(=C2)Br)O)Br)N)C(=O)N)C3=CC=NC=C3

Isomeric SMILES

CCCC1CN(CCN1C(=O)C(CCCCN)N(C(=O)C(CC2=CC(=C(C(=C2)Br)O)Br)N)C(=O)N)C3=CC=NC=C3

InChI

InChI=1S/C28H39Br2N7O4/c1-2-5-20-17-35(19-7-10-34-11-8-19)12-13-36(20)27(40)24(6-3-4-9-31)37(28(33)41)26(39)23(32)16-18-14-21(29)25(38)22(30)15-18/h7-8,10-11,14-15,20,23-24,38H,2-6,9,12-13,16-17,31-32H2,1H3,(H2,33,41)