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

Systemtic Name: dipotassium (3S)-3-[(4-cyanophenyl)carbamoylamino]-4-[[(2S)-1-oxidanidyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: dipotassium (3S)-4-[[(1S)-1-benzyl-2-oxido-2-oxo-ethyl]amino]-3-[(4-cyanophenyl)carbamoylamino]-4-oxo-butanoate CAS Name: dipotassium (3S)-3-[[(4-cyanoanilino)-oxomethyl]amino]-4-[[(2S)-1-oxido-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate IUPAC Name: dipotassium (3S)-3-[(4-cyanophenyl)carbamoylamino]-4-[[(2S)-1-oxido-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate Traditional Name: dipotassium (3S)-4-[[(1S)-1-benzyl-2-keto-2-oxido-ethyl]amino]-3-[(4-cyanophenyl)carbamoylamino]-4-keto-butyrate Formula: C21H18K2N4O6 MolecularWeight: 500.58742

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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-])NC(=O)NC2=CC=C(C=C2)C#N.[K+].[K+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)NC2=CC=C(C=C2)C#N.[K+].[K+]

InChI

InChI=1S/C21H20N4O6.2K/c22-12-14-6-8-15(9-7-14)23-21(31)25-16(11-18(26)27)19(28)24-17(20(29)30)10-13-4-2-1-3-5-13;;/h1-9,16-17H,10-11H2,(H,24,28)(H,26,27)(H,29,30)(H2,23,25,31);;/q;2*+1/p-2/t16-,17-;;/m0../s1