(phenylmethyl) (3S)-4-iodanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (phenylmethyl) (3S)-4-iodanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: benzyl (3S)-3-(tert-butoxycarbonylamino)-4-iodo-butanoate CAS Name: (3S)-4-iodo-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-4-iodo-butyric acid benzyl ester Formula: C16H22INO4 MolecularWeight: 419.25465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)CI

InChI

InChI=1S/C16H22INO4/c1-16(2,3)22-15(20)18-13(10-17)9-14(19)21-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)/t13-/m0/s1