(2S)-3-(2-ethyl-6-methyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(2-ethyl-6-methyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(2-ethyl-4-hydroxy-6-methyl-phenyl)propanoic acid CAS Name: (2S)-3-(2-ethyl-4-hydroxy-6-methylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(2-ethyl-4-hydroxy-6-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(2-ethyl-4-hydroxy-6-methyl-phenyl)propionic acid Formula: C17H25NO5 MolecularWeight: 323.3841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)O)C)CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(C(=CC(=C1)O)C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H25NO5/c1-6-11-8-12(19)7-10(2)13(11)9-14(15(20)21)18-16(22)23-17(3,4)5/h7-8,14,19H,6,9H2,1-5H3,(H,18,22)(H,20,21)/t14-/m0/s1