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

Systemtic Name: dipotassium (3S)-3-[(4-nitrophenyl)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-nitrophenyl)carbamoylamino]-4-oxo-butanoate CAS Name: dipotassium (3S)-3-[[(4-nitroanilino)-oxomethyl]amino]-4-[[(2S)-1-oxido-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate IUPAC Name: dipotassium (3S)-3-[(4-nitrophenyl)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]-4-keto-3-[(4-nitrophenyl)carbamoylamino]butyrate Formula: C20H18K2N4O8 MolecularWeight: 520.57552

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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)[N+](=O)[O-].[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)[N+](=O)[O-].[K+].[K+]

InChI

InChI=1S/C20H20N4O8.2K/c25-17(26)11-15(23-20(30)21-13-6-8-14(9-7-13)24(31)32)18(27)22-16(19(28)29)10-12-4-2-1-3-5-12;;/h1-9,15-16H,10-11H2,(H,22,27)(H,25,26)(H,28,29)(H2,21,23,30);;/q;2*+1/p-2/t15-,16-;;/m0../s1