5-bromanyl-3-[[3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-3-phenyl-pentanoyl]-(propanoylamino)amino]butanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-bromanyl-3-[[3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-3-phenyl-pentanoyl]-(propanoylamino)amino]butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-bromo-3-[[2-[(5-tert-butoxy-5-oxo-3-phenyl-pentanoyl)-(propanoylamino)amino]-3-methyl-butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-bromo-3-[[3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-1,5-dioxo-3-phenylpentyl]-(1-oxopropylamino)amino]-1-oxobutyl]amino]-4-oxopentanoic acid IUPAC Name: 5-bromo-3-[[3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxo-3-phenylpentanoyl]-(propanoylamino)amino]butanoyl]amino]-4-oxopentanoic acid Traditional Name: 5-bromo-3-[[2-[(5-tert-butoxy-5-keto-3-phenyl-pentanoyl)-propionamido-amino]-3-methyl-butanoyl]amino]-4-keto-valeric acid Formula: C28H40BrN3O8 MolecularWeight: 626.5365

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NN(C(C(C)C)C(=O)NC(CC(=O)O)C(=O)CBr)C(=O)CC(CC(=O)OC(C)(C)C)C1=CC=CC=C1

Isomeric SMILES

CCC(=O)NN(C(C(C)C)C(=O)NC(CC(=O)O)C(=O)CBr)C(=O)CC(CC(=O)OC(C)(C)C)C1=CC=CC=C1

InChI

InChI=1S/C28H40BrN3O8/c1-7-22(34)31-32(26(17(2)3)27(39)30-20(15-24(36)37)21(33)16-29)23(35)13-19(18-11-9-8-10-12-18)14-25(38)40-28(4,5)6/h8-12,17,19-20,26H,7,13-16H2,1-6H3,(H,30,39)(H,31,34)(H,36,37)