(phenylmethyl) (2S)-2-(2-cyclohexylethanoylamino)-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-(2-cyclohexylethanoylamino)-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[(2-cyclohexylacetyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[(2-cyclohexyl-1-oxoethyl)amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-cyclohexylacetyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(2-cyclohexylacetyl)amino]-4-methyl-valeric acid benzyl ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)CC2CCCCC2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)CC2CCCCC2

InChI

InChI=1S/C21H31NO3/c1-16(2)13-19(21(24)25-15-18-11-7-4-8-12-18)22-20(23)14-17-9-5-3-6-10-17/h4,7-8,11-12,16-17,19H,3,5-6,9-10,13-15H2,1-2H3,(H,22,23)/t19-/m0/s1