(2S,3S)-3-(3-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-propanoic acid

Systemtic Name: (2S,3S)-3-(3-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-propanoic acid Openeye Name: (2S,3S)-3-(tert-butoxycarbonylamino)-3-(3-cyanophenyl)-2-hydroxy-propanoic acid CAS Name: (2S,3S)-3-(3-cyanophenyl)-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S,3S)-3-(3-cyanophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S,3S)-3-(tert-butoxycarbonylamino)-3-(3-cyanophenyl)-2-hydroxy-propionic acid Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5/c1-15(2,3)22-14(21)17-11(12(18)13(19)20)10-6-4-5-9(7-10)8-16/h4-7,11-12,18H,1-3H3,(H,17,21)(H,19,20)/t11-,12-/m0/s1