5-bromanyl-3-[[3-methyl-2-[(2-oxidanylidene-2-phenylmethoxy-ethanoyl)amino]butanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-bromanyl-3-[[3-methyl-2-[(2-oxidanylidene-2-phenylmethoxy-ethanoyl)amino]butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[2-[(2-benzyloxy-2-oxo-acetyl)amino]-3-methyl-butanoyl]amino]-5-bromo-4-oxo-pentanoic acid CAS Name: 5-bromo-3-[[2-[(1,2-dioxo-2-phenylmethoxyethyl)amino]-3-methyl-1-oxobutyl]amino]-4-oxopentanoic acid IUPAC Name: 5-bromo-3-[[3-methyl-2-[(2-oxo-2-phenylmethoxyacetyl)amino]butanoyl]amino]-4-oxopentanoic acid Traditional Name: 3-[[2-[(2-benzoxy-2-keto-acetyl)amino]-3-methyl-butanoyl]amino]-5-bromo-4-keto-valeric acid Formula: C19H23BrN2O7 MolecularWeight: 471.29912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CBr)NC(=O)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CBr)NC(=O)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H23BrN2O7/c1-11(2)16(17(26)21-13(8-15(24)25)14(23)9-20)22-18(27)19(28)29-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)