tert-butyl (2S)-6-[[(2R)-3-cyano-2-oxidanyl-propyl]-phenylmethoxycarbonyl-amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Systemtic Name: tert-butyl (2S)-6-[[(2R)-3-cyano-2-oxidanyl-propyl]-phenylmethoxycarbonyl-amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Openeye Name: tert-butyl (2S)-6-[benzyloxycarbonyl-[(2R)-3-cyano-2-hydroxy-propyl]amino]-2-(tert-butoxycarbonylamino)hexanoate CAS Name: (2S)-6-[[(2R)-3-cyano-2-hydroxypropyl]-phenylmethoxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-6-[[(2R)-3-cyano-2-hydroxypropyl]-phenylmethoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-6-[carbobenzoxy-[(2R)-3-cyano-2-hydroxy-propyl]amino]hexanoic acid tert-butyl ester Formula: C27H41N3O7 MolecularWeight: 519.63034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N3O7/c1-26(2,3)36-23(32)22(29-24(33)37-27(4,5)6)14-10-11-17-30(18-21(31)15-16-28)25(34)35-19-20-12-8-7-9-13-20/h7-9,12-13,21-22,31H,10-11,14-15,17-19H2,1-6H3,(H,29,33)/t21-,22+/m1/s1