5-azanyl-2-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(3-bromo-4-methoxy-benzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(3-bromo-4-methoxybenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(3-bromo-4-methoxy-benzoyl)amino]-5-keto-valeric acid Formula: C13H15BrN2O5 MolecularWeight: 359.1726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(CCC(=O)N)C(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(CCC(=O)N)C(=O)O)Br

InChI

InChI=1S/C13H15BrN2O5/c1-21-10-4-2-7(6-8(10)14)12(18)16-9(13(19)20)3-5-11(15)17/h2,4,6,9H,3,5H2,1H3,(H2,15,17)(H,16,18)(H,19,20)