(2S)-1-[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[(5-nitro-2-pyridinyl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]proline Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O5/c1-8(12(18)16-6-2-3-10(16)13(19)20)15-11-5-4-9(7-14-11)17(21)22/h4-5,7-8,10H,2-3,6H2,1H3,(H,14,15)(H,19,20)/t8-,10-/m0/s1