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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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