5-azanyl-2-[(4-bromanyl-2-methyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(4-bromanyl-2-methyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(4-bromo-2-methyl-benzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(4-bromo-2-methylphenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(4-bromo-2-methylbenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(4-bromo-2-methyl-benzoyl)amino]-5-keto-valeric acid Formula: C13H15BrN2O4 MolecularWeight: 343.1732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C13H15BrN2O4/c1-7-6-8(14)2-3-9(7)12(18)16-10(13(19)20)4-5-11(15)17/h2-3,6,10H,4-5H2,1H3,(H2,15,17)(H,16,18)(H,19,20)