(2S)-3-(1H-imidazol-5-yl)-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]propanoic acid CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(5-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]propanoic acid Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]propionic acid Formula: C11H11N5O5 MolecularWeight: 293.23554

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=C1)[N+](=O)[O-])C(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=C(NC(=C1)[N+](=O)[O-])C(=O)N[C@@H](CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C11H11N5O5/c17-10(7-1-2-9(14-7)16(20)21)15-8(11(18)19)3-6-4-12-5-13-6/h1-2,4-5,8,14H,3H2,(H,12,13)(H,15,17)(H,18,19)/t8-/m0/s1