cyanomethyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: cyanomethyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: cyanomethyl (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid cyanomethyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC#N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c1-3-12(2)14(15(19)21-10-9-17)18-16(20)22-11-13-7-5-4-6-8-13/h4-8,12,14H,3,10-11H2,1-2H3,(H,18,20)/t12-,14-/m0/s1