(2S)-2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indol-5-yl]carbonylamino]-3-[phenyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid

Systemtic Name: (2S)-2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indol-5-yl]carbonylamino]-3-[phenyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid Openeye Name: (2S)-2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]-3-(N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)propanoic acid CAS Name: (2S)-2-[[[2-[2-(methylamino)-4-pyrimidinyl]-1H-indol-5-yl]-oxomethyl]amino]-3-(N-[4-(trifluoromethyl)-2-pyrimidinyl]anilino)propanoic acid IUPAC Name: (2S)-2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]-3-(N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)propanoic acid Traditional Name: (2S)-2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]-3-(N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)propionic acid Formula: C28H23F3N8O3 MolecularWeight: 576.52923

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=N1)C2=CC3=C(N2)C=CC(=C3)C(=O)NC(CN(C4=CC=CC=C4)C5=NC=CC(=N5)C(F)(F)F)C(=O)O

Isomeric SMILES

CNC1=NC=CC(=N1)C2=CC3=C(N2)C=CC(=C3)C(=O)N[C@@H](CN(C4=CC=CC=C4)C5=NC=CC(=N5)C(F)(F)F)C(=O)O

InChI

InChI=1S/C28H23F3N8O3/c1-32-26-33-11-9-20(37-26)21-14-17-13-16(7-8-19(17)35-21)24(40)36-22(25(41)42)15-39(18-5-3-2-4-6-18)27-34-12-10-23(38-27)28(29,30)31/h2-14,22,35H,15H2,1H3,(H,36,40)(H,41,42)(H,32,33,37)/t22-/m0/s1