(phenylmethyl) (2S)-2-(2,2-dimethylpent-4-enoylamino)-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-(2,2-dimethylpent-4-enoylamino)-3-methyl-butanoate Openeye Name: benzyl (2S)-2-(2,2-dimethylpent-4-enoylamino)-3-methyl-butanoate CAS Name: (2S)-2-[(2,2-dimethyl-1-oxopent-4-enyl)amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(2,2-dimethylpent-4-enoylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2,2-dimethylpent-4-enoylamino)-3-methyl-butyric acid benzyl ester Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(C)(C)CC=C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C(C)(C)CC=C

InChI

InChI=1S/C19H27NO3/c1-6-12-19(4,5)18(22)20-16(14(2)3)17(21)23-13-15-10-8-7-9-11-15/h6-11,14,16H,1,12-13H2,2-5H3,(H,20,22)/t16-/m0/s1