(2S)-3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: (2S)-3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]propanoic acid Openeye Name: (2S)-2-[[6-(4-benzyloxyphenyl)pyrimidin-4-yl]amino]-3-[3-(2-morpholinoethoxy)phenyl]propanoic acid CAS Name: (2S)-3-[3-[2-(4-morpholinyl)ethoxy]phenyl]-2-[[6-(4-phenylmethoxyphenyl)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: (2S)-3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]propanoic acid Traditional Name: (2S)-2-[[6-(4-benzoxyphenyl)pyrimidin-4-yl]amino]-3-[3-(2-morpholinoethoxy)phenyl]propionic acid Formula: C32H34N4O5 MolecularWeight: 554.63616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC2=CC=CC(=C2)CC(C(=O)O)NC3=NC=NC(=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1COCCN1CCOC2=CC=CC(=C2)C[C@@H](C(=O)O)NC3=NC=NC(=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C32H34N4O5/c37-32(38)30(20-25-7-4-8-28(19-25)40-18-15-36-13-16-39-17-14-36)35-31-21-29(33-23-34-31)26-9-11-27(12-10-26)41-22-24-5-2-1-3-6-24/h1-12,19,21,23,30H,13-18,20,22H2,(H,37,38)(H,33,34,35)/t30-/m0/s1