(phenylmethyl) (2S)-2-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[(2R,6S)-2,6-dimethyl-1-piperidinyl]-oxomethyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methyl-valeric acid benzyl ester Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)NC(CC(C)C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

C[C@@H]1CCC[C@@H](N1C(=O)N[C@@H](CC(C)C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C21H32N2O3/c1-15(2)13-19(20(24)26-14-18-11-6-5-7-12-18)22-21(25)23-16(3)9-8-10-17(23)4/h5-7,11-12,15-17,19H,8-10,13-14H2,1-4H3,(H,22,25)/t16-,17+,19-/m0/s1