6-azanyl-2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]hexanoic acid Openeye Name: 6-amino-2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]hexanoic acid Formula: C22H26Br2N2O5 MolecularWeight: 558.26024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)NC(CCCCN)C(=O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)NC(CCCCN)C(=O)O)Br)O

InChI

InChI=1S/C22H26Br2N2O5/c1-12(2)15-11-14(6-7-19(15)27)31-20-16(23)9-13(10-17(20)24)21(28)26-18(22(29)30)5-3-4-8-25/h6-7,9-12,18,27H,3-5,8,25H2,1-2H3,(H,26,28)(H,29,30)