(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-pyrimidin-2-yloxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-pyrimidin-2-yloxyphenyl)propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-pyrimidin-2-yloxyphenyl)propanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(2-pyrimidinyloxy)phenyl]propanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-pyrimidin-2-yloxyphenyl)propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[4-(2-pyrimidyloxy)phenyl]propionic acid Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC2=NC=CC=N2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC2=NC=CC=N2)C(=O)O

InChI

InChI=1S/C18H21N3O5/c1-18(2,3)26-17(24)21-14(15(22)23)11-12-5-7-13(8-6-12)25-16-19-9-4-10-20-16/h4-10,14H,11H2,1-3H3,(H,21,24)(H,22,23)/t14-/m0/s1