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

Systemtic Name: 4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-(phenylcarbamoylamino)butanoic acid Openeye Name: 4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-4-oxo-3-(phenylcarbamoylamino)butanoic acid CAS Name: 3-[[anilino(oxo)methyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxo-3-(phenylcarbamoylamino)butanoic acid Traditional Name: 4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-3-(phenylcarbamoylamino)butyric acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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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=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O6/c24-17(25)12-15(23-20(29)21-14-9-5-2-6-10-14)18(26)22-16(19(27)28)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,22,26)(H,24,25)(H,27,28)(H2,21,23,29)