(2S)-4-azanyl-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-azanyl-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-amino-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-4-oxobutanoate IUPAC Name: (2S)-4-amino-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-keto-butyrate Formula: C9H9BrN3O4- MolecularWeight: 303.08946

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=C1Br)C(=O)NC(CC(=O)N)C(=O)[O-]

Isomeric SMILES

C1=C(NC=C1Br)C(=O)N[C@@H](CC(=O)N)C(=O)[O-]

InChI

InChI=1S/C9H10BrN3O4/c10-4-1-5(12-3-4)8(15)13-6(9(16)17)2-7(11)14/h1,3,6,12H,2H2,(H2,11,14)(H,13,15)(H,16,17)/p-1/t6-/m0/s1