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

Systemtic Name: (2S)-2-azaniumyl-4-[[(2S)-1-oxidanidyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: (2S)-2-azaniumyl-4-[[(1S)-1-benzyl-2-oxido-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: (2S)-2-ammonio-4-[[(2S)-1-oxido-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate IUPAC Name: (2S)-2-azaniumyl-4-[[(2S)-1-oxido-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate Traditional Name: (2S)-2-ammonio-4-[[(1S)-1-benzyl-2-keto-2-oxido-ethyl]amino]-4-keto-butyrate Formula: C13H15N2O5- MolecularWeight: 279.2686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c14-9(12(17)18)7-11(16)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)(H,17,18)(H,19,20)/p-1/t9-,10-/m0/s1