(2S)-3-(1H-indol-3-yl)-2-(pyrimidin-2-ylamino)propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-(pyrimidin-2-ylamino)propanoate Openeye Name: (2S)-3-(1H-indol-3-yl)-2-(pyrimidin-2-ylamino)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(2-pyrimidinylamino)propanoate IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-(pyrimidin-2-ylamino)propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(2-pyrimidylamino)propionate Formula: C15H13N4O2- MolecularWeight: 281.28932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC3=NC=CC=N3

InChI

InChI=1S/C15H14N4O2/c20-14(21)13(19-15-16-6-3-7-17-15)8-10-9-18-12-5-2-1-4-11(10)12/h1-7,9,13,18H,8H2,(H,20,21)(H,16,17,19)/p-1/t13-/m0/s1