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

Systemtic Name: (2S)-3-(2-methyl-4-oxidanyl-6-propan-2-yl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-2-isopropyl-6-methyl-phenyl)propanoic acid CAS Name: (2S)-3-(4-hydroxy-2-methyl-6-propan-2-ylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-hydroxy-2-methyl-6-propan-2-ylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-2-isopropyl-6-methyl-phenyl)propionic acid Formula: C18H27NO5 MolecularWeight: 337.41068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)O)NC(=O)OC(C)(C)C)C(C)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C(C)C)O

InChI

InChI=1S/C18H27NO5/c1-10(2)13-8-12(20)7-11(3)14(13)9-15(16(21)22)19-17(23)24-18(4,5)6/h7-8,10,15,20H,9H2,1-6H3,(H,19,23)(H,21,22)/t15-/m0/s1