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

Systemtic Name: (phenylmethyl) (2S)-2-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]carbonylamino]pentanoate Openeye Name: benzyl (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoate CAS Name: (2S)-2-[[[(2R,6S)-2,6-dimethyl-1-piperidinyl]-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoate Traditional Name: (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]valeric acid benzyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)N2C(CCCC2C)C

Isomeric SMILES

CCC[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)N2[C@@H](CCC[C@@H]2C)C

InChI

InChI=1S/C20H30N2O3/c1-4-9-18(19(23)25-14-17-12-6-5-7-13-17)21-20(24)22-15(2)10-8-11-16(22)3/h5-7,12-13,15-16,18H,4,8-11,14H2,1-3H3,(H,21,24)/t15-,16+,18-/m0/s1