methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[(3-iodanylphenyl)methylamino]propanoate

Systemtic Name: methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[(3-iodanylphenyl)methylamino]propanoate Openeye Name: methyl 2-[bis(tert-butoxycarbonyl)amino]-3-[(3-iodophenyl)methylamino]propanoate CAS Name: 2-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(3-iodophenyl)methylamino]propanoic acid methyl ester IUPAC Name: methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[(3-iodophenyl)methylamino]propanoate Traditional Name: 2-[bis(tert-butoxycarbonyl)amino]-3-[(3-iodobenzyl)amino]propionic acid methyl ester Formula: C21H31IN2O6 MolecularWeight: 534.38511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CNCC1=CC(=CC=C1)I)C(=O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C(CNCC1=CC(=CC=C1)I)C(=O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31IN2O6/c1-20(2,3)29-18(26)24(19(27)30-21(4,5)6)16(17(25)28-7)13-23-12-14-9-8-10-15(22)11-14/h8-11,16,23H,12-13H2,1-7H3