(E)-3-methyl-4-oxidanylidene-4-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]but-2-enoic acid

Systemtic Name: (E)-3-methyl-4-oxidanylidene-4-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]but-2-enoic acid Openeye Name: (E)-4-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]amino]-3-methyl-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]amino]-4-keto-3-methyl-but-2-enoic acid Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

C/C(=C\C(=O)O)/C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H15NO5/c1-9(7-12(16)17)13(18)15-11(14(19)20)8-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/b9-7+/t11-/m0/s1