(phenylmethyl) (2S)-5-bromanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate

Systemtic Name: (phenylmethyl) (2S)-5-bromanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate Openeye Name: benzyl (2S)-5-bromo-2-(tert-butoxycarbonylamino)hex-5-enoate CAS Name: (2S)-5-bromo-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate Traditional Name: (2S)-5-bromo-2-(tert-butoxycarbonylamino)hex-5-enoic acid benzyl ester Formula: C18H24BrNO4 MolecularWeight: 398.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=C)Br)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrNO4/c1-13(19)10-11-15(20-17(22)24-18(2,3)4)16(21)23-12-14-8-6-5-7-9-14/h5-9,15H,1,10-12H2,2-4H3,(H,20,22)/t15-/m0/s1