tripotassium sodium (3S)-3-azanyl-4-[[(2S)-1-oxidanidyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate dichloride

Systemtic Name: tripotassium sodium (3S)-3-azanyl-4-[[(2S)-1-oxidanidyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate dichloride Openeye Name: tripotassium sodium (3S)-3-amino-4-[[(1S)-1-benzyl-2-oxido-2-oxo-ethyl]amino]-4-oxo-butanoate dichloride CAS Name: tripotassium sodium (3S)-3-amino-4-[[(2S)-1-oxido-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate dichloride IUPAC Name: tripotassium sodium (3S)-3-amino-4-[[(2S)-1-oxido-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate dichloride Traditional Name: tripotassium sodium (3S)-3-amino-4-[[(1S)-1-benzyl-2-keto-2-oxido-ethyl]amino]-4-keto-butyrate dichloride Formula: C13H14Cl2K3N2NaO5 MolecularWeight: 489.45133

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)C(CC(=O)[O-])N.[Na+].[Cl-].[Cl-].[K+].[K+].[K+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)[C@H](CC(=O)[O-])N.[Na+].[Cl-].[Cl-].[K+].[K+].[K+]

InChI

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