(phenylmethyl) (2S,3R)-3-methyl-2-(prop-2-enoylamino)pentanoate

Systemtic Name: (phenylmethyl) (2S,3R)-3-methyl-2-(prop-2-enoylamino)pentanoate Openeye Name: benzyl (2S,3R)-3-methyl-2-(prop-2-enoylamino)pentanoate CAS Name: (2S,3R)-3-methyl-2-(1-oxoprop-2-enylamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-3-methyl-2-(prop-2-enoylamino)pentanoate Traditional Name: (2S,3R)-2-acrylamido-3-methyl-valeric acid benzyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-4-12(3)15(17-14(18)5-2)16(19)20-11-13-9-7-6-8-10-13/h5-10,12,15H,2,4,11H2,1,3H3,(H,17,18)/t12-,15+/m1/s1