[(2S)-1-cyano-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexyl] ethanoate

Systemtic Name: [(2S)-1-cyano-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexyl] ethanoate Openeye Name: [(2S)-2-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)-1-cyano-hexyl] acetate CAS Name: acetic acid [(2S)-1-cyano-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)hexyl] ester IUPAC Name: [(2S)-1-cyano-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexyl] acetate Traditional Name: acetic acid [(2S)-2-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)-1-cyano-hexyl] ester Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#N)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O6/c1-16(26)30-19(14-23)18(12-8-9-13-24-20(27)31-22(2,3)4)25-21(28)29-15-17-10-6-5-7-11-17/h5-7,10-11,18-19H,8-9,12-13,15H2,1-4H3,(H,24,27)(H,25,28)/t18-,19?/m0/s1