(2S)-2-[[1,3-bis(bromanyl)-2-methyl-propan-2-yl]oxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[1,3-bis(bromanyl)-2-methyl-propan-2-yl]oxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-bromo-1-(bromomethyl)-1-methyl-ethoxy]carbonylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(1,3-dibromo-2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(1,3-dibromo-2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-bromo-1-(bromomethyl)-1-methyl-ethoxy]carbonylamino]-3-phenyl-propionic acid Formula: C14H17Br2NO4 MolecularWeight: 423.09708

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Descriptors Computed from Structure

Canonical SMILES:

CC(CBr)(CBr)OC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CBr)(CBr)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H17Br2NO4/c1-14(8-15,9-16)21-13(20)17-11(12(18)19)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,17,20)(H,18,19)/t11-/m0/s1