2-azanyl-5-[2-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]ethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[2-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]ethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]acetyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]acetyl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]acetyl]amino]-5-keto-valeric acid Formula: C22H24Br2N2O6 MolecularWeight: 572.24376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)CC(=O)NC(=O)CCC(C(=O)O)N)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)CC(=O)NC(=O)CCC(C(=O)O)N)Br)O

InChI

InChI=1S/C22H24Br2N2O6/c1-11(2)14-10-13(3-5-18(14)27)32-21-15(23)7-12(8-16(21)24)9-20(29)26-19(28)6-4-17(25)22(30)31/h3,5,7-8,10-11,17,27H,4,6,9,25H2,1-2H3,(H,30,31)(H,26,28,29)