5-bromanyl-3-[[3-methyl-2-(2-naphthalen-1-yloxyethanoylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-bromanyl-3-[[3-methyl-2-(2-naphthalen-1-yloxyethanoylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-bromo-3-[[3-methyl-2-[[2-(1-naphthyloxy)acetyl]amino]butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-bromo-3-[[3-methyl-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxobutyl]amino]-4-oxopentanoic acid IUPAC Name: 5-bromo-3-[[3-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoyl]amino]-4-oxopentanoic acid Traditional Name: 5-bromo-4-keto-3-[[3-methyl-2-[[2-(1-naphthoxy)acetyl]amino]butanoyl]amino]valeric acid Formula: C22H25BrN2O6 MolecularWeight: 493.3477

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CBr)NC(=O)COC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CBr)NC(=O)COC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C22H25BrN2O6/c1-13(2)21(22(30)24-16(10-20(28)29)17(26)11-23)25-19(27)12-31-18-9-5-7-14-6-3-4-8-15(14)18/h3-9,13,16,21H,10-12H2,1-2H3,(H,24,30)(H,25,27)(H,28,29)