N-aminocarbonyl-2-azanyl-N-[6-azanyl-1-(2-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-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-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-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-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-ethyl-4-(4-pyridyl)piperazine-1-carbonyl]pentyl]-N-carbamoyl-3-(3,5-dibromo-4-hydroxy-phenyl)propionamide Formula: C27H37Br2N7O4 MolecularWeight: 683.43518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(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

CCC1CN(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/C27H37Br2N7O4/c1-2-18-16-34(19-6-9-33-10-7-19)11-12-35(18)26(39)23(5-3-4-8-30)36(27(32)40)25(38)22(31)15-17-13-20(28)24(37)21(29)14-17/h6-7,9-10,13-14,18,22-23,37H,2-5,8,11-12,15-16,30-31H2,1H3,(H2,32,40)