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

Systemtic Name: tert-butyl 5-azanyl-2-[2-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]ethanoylamino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl 5-amino-2-[[2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]acetyl]amino]-5-oxo-pentanoate CAS Name: 5-amino-2-[[2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-1-oxoethyl]amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-2-[[2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]acetyl]amino]-5-oxopentanoate Traditional Name: 5-amino-2-[[2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]acetyl]amino]-5-keto-valeric acid tert-butyl ester Formula: C26H32Br2N2O6 MolecularWeight: 628.35008

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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(CCC(=O)N)C(=O)OC(C)(C)C)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C26H32Br2N2O6/c1-14(2)17-13-16(6-8-21(17)31)35-24-18(27)10-15(11-19(24)28)12-23(33)30-20(7-9-22(29)32)25(34)36-26(3,4)5/h6,8,10-11,13-14,20,31H,7,9,12H2,1-5H3,(H2,29,32)(H,30,33)