(2S,3R)-3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S,3R)-3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S,3R)-2-(tert-butoxycarbonylamino)-3-(4-cyanophenyl)-3-hydroxy-propanoic acid CAS Name: (2S,3R)-3-(4-cyanophenyl)-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S,3R)-3-(4-cyanophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S,3R)-2-(tert-butoxycarbonylamino)-3-(4-cyanophenyl)-3-hydroxy-propionic acid Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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