[1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hex-4-ynyl] ethanoate

Systemtic Name: [1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hex-4-ynyl] ethanoate Openeye Name: [6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)-1-cyano-hex-4-ynyl] acetate CAS Name: acetic acid [1-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)hex-4-ynyl] ester IUPAC Name: [1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hex-4-ynyl] acetate Traditional Name: acetic acid [6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)-1-cyano-hex-4-ynyl] ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6/c1-16(26)30-19(14-23)18(25-21(28)31-22(2,3)4)12-8-9-13-24-20(27)29-15-17-10-6-5-7-11-17/h5-7,10-11,18-19H,12-13,15H2,1-4H3,(H,24,27)(H,25,28)