6-[(3-cyano-2-oxidanyl-propyl)-(phenylmethyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Systemtic Name: 6-[(3-cyano-2-oxidanyl-propyl)-(phenylmethyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Openeye Name: 6-[benzyl-(3-cyano-2-hydroxy-propyl)amino]-2-(tert-butoxycarbonylamino)hexanoic acid CAS Name: 6-[(3-cyano-2-hydroxypropyl)-(phenylmethyl)amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[benzyl-(3-cyano-2-hydroxypropyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Traditional Name: 6-[benzyl-(3-cyano-2-hydroxy-propyl)amino]-2-(tert-butoxycarbonylamino)hexanoic acid Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCN(CC1=CC=CC=C1)CC(CC#N)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCN(CC1=CC=CC=C1)CC(CC#N)O)C(=O)O

InChI

InChI=1S/C22H33N3O5/c1-22(2,3)30-21(29)24-19(20(27)28)11-7-8-14-25(16-18(26)12-13-23)15-17-9-5-4-6-10-17/h4-6,9-10,18-19,26H,7-8,11-12,14-16H2,1-3H3,(H,24,29)(H,27,28)