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

Systemtic Name: (3S)-3-azaniumyl-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butanoate Openeye Name: (3S)-3-azaniumyl-4-[[(1S)-1-benzyl-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: (3S)-3-ammonio-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoate IUPAC Name: (3S)-3-azaniumyl-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoate Traditional Name: (3S)-3-ammonio-4-[[(1S)-1-benzyl-2-keto-ethyl]amino]-4-keto-butyrate Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c14-11(7-12(17)18)13(19)15-10(8-16)6-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7,14H2,(H,15,19)(H,17,18)/t10-,11-/m0/s1