(phenylmethyl) N-[3-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]propyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]propyl]carbamate Openeye Name: tert-butyl N-[N'-[3-(benzyloxycarbonylamino)propyl]-N-tert-butoxycarbonyl-carbamimidoyl]carbamate CAS Name: N-[3-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]propyl]carbamate Traditional Name: N-[N'-[3-(benzyloxycarbonylamino)propyl]-N-tert-butoxycarbonyl-amidino]carbamic acid tert-butyl ester Formula: C22H34N4O6 MolecularWeight: 450.52856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N4O6/c1-21(2,3)31-19(28)25-17(26-20(29)32-22(4,5)6)23-13-10-14-24-18(27)30-15-16-11-8-7-9-12-16/h7-9,11-12H,10,13-15H2,1-6H3,(H,24,27)(H2,23,25,26,28,29)