(2S,3R)-2-acetyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S,3R)-2-acetyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S,3R)-2-acetoxy-3-(tert-butoxycarbonylamino)-3-phenyl-propanoic acid CAS Name: (2S,3R)-2-acetyloxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S,3R)-2-acetyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid Traditional Name: (2S,3R)-2-acetoxy-3-(tert-butoxycarbonylamino)-3-phenyl-propionic acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)O[C@@H]([C@@H](C1=CC=CC=C1)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C16H21NO6/c1-10(18)22-13(14(19)20)12(11-8-6-5-7-9-11)17-15(21)23-16(2,3)4/h5-9,12-13H,1-4H3,(H,17,21)(H,19,20)/t12-,13+/m1/s1