(2S)-2-azaniumyl-4-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-azaniumyl-4-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: (2S)-2-azaniumyl-4-[[(1S)-1-(1H-imidazol-5-ylmethyl)-2-oxido-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: (2S)-2-ammonio-4-[[(2S)-3-(1H-imidazol-5-yl)-1-oxido-1-oxopropan-2-yl]amino]-4-oxobutanoate IUPAC Name: (2S)-2-azaniumyl-4-[[(2S)-3-(1H-imidazol-5-yl)-1-oxido-1-oxopropan-2-yl]amino]-4-oxobutanoate Traditional Name: (2S)-2-ammonio-4-[[(1S)-1-(1H-imidazol-5-ylmethyl)-2-keto-2-oxido-ethyl]amino]-4-keto-butyrate Formula: C10H13N4O5- MolecularWeight: 269.23402

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)[O-])NC(=O)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=C(NC=N1)C[C@@H](C(=O)[O-])NC(=O)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C10H14N4O5/c11-6(9(16)17)2-8(15)14-7(10(18)19)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/p-1/t6-,7-/m0/s1