5-bromanyl-2-[[2-methyl-4-oxidanylidene-4-(phenethylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-bromanyl-2-[[2-methyl-4-oxidanylidene-4-(phenethylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-bromo-2-[[2-methyl-4-oxo-4-(phenethylamino)butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-bromo-2-[[2-methyl-1,4-dioxo-4-(phenethylamino)butyl]amino]-4-oxopentanoic acid IUPAC Name: 5-bromo-2-[[2-methyl-4-oxo-4-(phenethylamino)butanoyl]amino]-4-oxopentanoic acid Traditional Name: 5-bromo-4-keto-2-[[4-keto-2-methyl-4-(phenethylamino)butanoyl]amino]valeric acid Formula: C18H23BrN2O5 MolecularWeight: 427.28962

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCCC1=CC=CC=C1)C(=O)NC(CC(=O)CBr)C(=O)O

Isomeric SMILES

CC(CC(=O)NCCC1=CC=CC=C1)C(=O)NC(CC(=O)CBr)C(=O)O

InChI

InChI=1S/C18H23BrN2O5/c1-12(17(24)21-15(18(25)26)10-14(22)11-19)9-16(23)20-8-7-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3,(H,20,23)(H,21,24)(H,25,26)