(phenylmethyl) (2S)-4-methyl-2-[2-(phenylmethyl)prop-2-enoylamino]pentanoate

Systemtic Name: (phenylmethyl) (2S)-4-methyl-2-[2-(phenylmethyl)prop-2-enoylamino]pentanoate Openeye Name: benzyl (2S)-2-(2-benzylprop-2-enoylamino)-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[1-oxo-2-(phenylmethyl)prop-2-enyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(2-benzylprop-2-enoylamino)-4-methylpentanoate Traditional Name: (2S)-2-[(2-benzylacryloyl)amino]-4-methyl-valeric acid benzyl ester Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(=C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C(=C)CC2=CC=CC=C2

InChI

InChI=1S/C23H27NO3/c1-17(2)14-21(23(26)27-16-20-12-8-5-9-13-20)24-22(25)18(3)15-19-10-6-4-7-11-19/h4-13,17,21H,3,14-16H2,1-2H3,(H,24,25)/t21-/m0/s1