(2S)-2-azanyl-3-[3-(2-carboxyethyl)-5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[3-(2-carboxyethyl)-5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoic acid Openeye Name: (2S)-2-amino-3-[3-(2-carboxyethyl)-5-nitro-2,4-dioxo-pyrimidin-1-yl]propanoic acid CAS Name: (2S)-2-amino-3-[3-(2-carboxyethyl)-5-nitro-2,4-dioxo-1-pyrimidinyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[3-(2-carboxyethyl)-5-nitro-2,4-dioxopyrimidin-1-yl]propanoic acid Traditional Name: (2S)-2-amino-3-[3-(2-carboxyethyl)-2,4-diketo-5-nitro-pyrimidin-1-yl]propionic acid Formula: C10H12N4O8 MolecularWeight: 316.22428

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)N(C(=O)N1CC(C(=O)O)N)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=O)N(C(=O)N1C[C@@H](C(=O)O)N)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H12N4O8/c11-5(9(18)19)3-12-4-6(14(21)22)8(17)13(10(12)20)2-1-7(15)16/h4-5H,1-3,11H2,(H,15,16)(H,18,19)/t5-/m0/s1