(phenylmethyl) 5-(2-cyanoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 5-(2-cyanoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate Openeye Name: benzyl 4-(tert-butoxycarbonylamino)-5-(2-cyanoethylamino)-5-oxo-pentanoate CAS Name: 5-(2-cyanoethylamino)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(2-cyanoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate Traditional Name: 4-(tert-butoxycarbonylamino)-5-(2-cyanoethylamino)-5-keto-valeric acid benzyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5/c1-20(2,3)28-19(26)23-16(18(25)22-13-7-12-21)10-11-17(24)27-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-11,13-14H2,1-3H3,(H,22,25)(H,23,26)