methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenethylamino)-3-phenethylimino-propanoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenethylamino)-3-phenethylimino-propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-2-(phenethylamino)-3-phenethylimino-propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(phenethylamino)-3-phenethyliminopropanoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenethylamino)-3-phenethyliminopropanoate Traditional Name: 2-(tert-butoxycarbonylamino)-2-(phenethylamino)-3-phenethylimino-propionic acid methyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C=NCCC1=CC=CC=C1)(C(=O)OC)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(C=NCCC1=CC=CC=C1)(C(=O)OC)NCCC2=CC=CC=C2

InChI

InChI=1S/C25H33N3O4/c1-24(2,3)32-23(30)28-25(22(29)31-4,27-18-16-21-13-9-6-10-14-21)19-26-17-15-20-11-7-5-8-12-20/h5-14,19,27H,15-18H2,1-4H3,(H,28,30)