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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C(=O)NC(CC(=O)N)C(=O)O)Br

Isomeric SMILES

CC(C)N1C=C(C=C1C(=O)NC(CC(=O)N)C(=O)O)Br

InChI

InChI=1S/C12H16BrN3O4/c1-6(2)16-5-7(13)3-9(16)11(18)15-8(12(19)20)4-10(14)17/h3,5-6,8H,4H2,1-2H3,(H2,14,17)(H,15,18)(H,19,20)