(3S)-3-[(4-cyanophenyl)carbamoylamino]-4-oxidanylidene-4-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butanoic acid

Systemtic Name: (3S)-3-[(4-cyanophenyl)carbamoylamino]-4-oxidanylidene-4-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butanoic acid Openeye Name: (3S)-4-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]amino]-3-[(4-cyanophenyl)carbamoylamino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(4-cyanoanilino)-oxomethyl]amino]-4-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[(4-cyanophenyl)carbamoylamino]-4-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]amino]-3-[(4-cyanophenyl)carbamoylamino]-4-keto-butyric acid Formula: C21H20N4O6 MolecularWeight: 424.4067

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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

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

InChI

InChI=1S/C21H20N4O6/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)/t16-,17-/m0/s1