methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxidanylphenyl)propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxidanylphenyl)propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C15H21NO5 MolecularWeight: 307.286192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C[14C]1=[14CH][14CH]=[14C]([14CH]=[14CH]1)O)C(=O)OC

InChI

InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)/t12-/m0/s1/i5+2,6+2,7+2,8+2,10+2,11+2