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

Systemtic Name: (phenylmethyl) (2S)-2-(cyclohexyloxycarbonylamino)-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-(cyclohexoxycarbonylamino)-4-methyl-pentanoate CAS Name: (2S)-2-[[cyclohexyloxy(oxo)methyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(cyclohexyloxycarbonylamino)-4-methylpentanoate Traditional Name: (2S)-2-(cyclohexoxycarbonylamino)-4-methyl-valeric acid benzyl ester Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)OC2CCCCC2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OC2CCCCC2

InChI

InChI=1S/C20H29NO4/c1-15(2)13-18(19(22)24-14-16-9-5-3-6-10-16)21-20(23)25-17-11-7-4-8-12-17/h3,5-6,9-10,15,17-18H,4,7-8,11-14H2,1-2H3,(H,21,23)/t18-/m0/s1