4-azanyl-2-[(4-bromanyl-1-propyl-pyrrol-2-yl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(4-bromanyl-1-propyl-pyrrol-2-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(4-bromo-1-propyl-pyrrole-2-carbonyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(4-bromo-1-propyl-2-pyrrolyl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(4-bromo-1-propyl-pyrrole-2-carbonyl)amino]-4-keto-butyric acid Formula: C12H16BrN3O4 MolecularWeight: 346.17714

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C(=O)NC(CC(=O)N)C(=O)O)Br

Isomeric SMILES

CCCN1C=C(C=C1C(=O)NC(CC(=O)N)C(=O)O)Br

InChI

InChI=1S/C12H16BrN3O4/c1-2-3-16-6-7(13)4-9(16)11(18)15-8(12(19)20)5-10(14)17/h4,6,8H,2-3,5H2,1H3,(H2,14,17)(H,15,18)(H,19,20)