5-bromanyl-2-(butanoylamino)-3-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-(phenylmethoxyamino)ethyl]pentanoic acid

Systemtic Name: 5-bromanyl-2-(butanoylamino)-3-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-(phenylmethoxyamino)ethyl]pentanoic acid Openeye Name: 2-[2-(benzyloxyamino)-2-oxo-ethyl]-5-bromo-2-(butanoylamino)-3-methyl-4-oxo-pentanoic acid CAS Name: 5-bromo-3-methyl-4-oxo-2-(1-oxobutylamino)-2-[2-oxo-2-(phenylmethoxyamino)ethyl]pentanoic acid IUPAC Name: 5-bromo-2-(butanoylamino)-3-methyl-4-oxo-2-[2-oxo-2-(phenylmethoxyamino)ethyl]pentanoic acid Traditional Name: 2-[2-(benzoxyamino)-2-keto-ethyl]-5-bromo-2-butyramido-4-keto-3-methyl-valeric acid Formula: C19H25BrN2O6 MolecularWeight: 457.3156

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC(=O)NOCC1=CC=CC=C1)(C(C)C(=O)CBr)C(=O)O

Isomeric SMILES

CCCC(=O)NC(CC(=O)NOCC1=CC=CC=C1)(C(C)C(=O)CBr)C(=O)O

InChI

InChI=1S/C19H25BrN2O6/c1-3-7-16(24)21-19(18(26)27,13(2)15(23)11-20)10-17(25)22-28-12-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,21,24)(H,22,25)(H,26,27)