[(E)-4-methoxy-4-oxidanylidene-but-2-enyl] (2S)-4-methyl-2-[(3-phenyloxiran-2-yl)carbonylamino]pentanoate

Systemtic Name: [(E)-4-methoxy-4-oxidanylidene-but-2-enyl] (2S)-4-methyl-2-[(3-phenyloxiran-2-yl)carbonylamino]pentanoate Openeye Name: [(E)-4-methoxy-4-oxo-but-2-enyl] (2S)-4-methyl-2-[(3-phenyloxirane-2-carbonyl)amino]pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-(3-phenyl-2-oxiranyl)methyl]amino]pentanoic acid [(E)-4-methoxy-4-oxobut-2-enyl] ester IUPAC Name: [(E)-4-methoxy-4-oxobut-2-enyl] (2S)-4-methyl-2-[(3-phenyloxirane-2-carbonyl)amino]pentanoate Traditional Name: (2S)-4-methyl-2-[(3-phenyloxirane-2-carbonyl)amino]valeric acid [(E)-4-keto-4-methoxy-but-2-enyl] ester Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC=CC(=O)OC)NC(=O)C1C(O1)C2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC/C=C/C(=O)OC)NC(=O)C1C(O1)C2=CC=CC=C2

InChI

InChI=1S/C20H25NO6/c1-13(2)12-15(20(24)26-11-7-10-16(22)25-3)21-19(23)18-17(27-18)14-8-5-4-6-9-14/h4-10,13,15,17-18H,11-12H2,1-3H3,(H,21,23)/b10-7+/t15-,17?,18?/m0/s1