potassium (2S)-2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indol-5-yl]carbonylamino]-3-[phenyl(pyridin-2-yl)amino]propanoate

Systemtic Name: potassium (2S)-2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indol-5-yl]carbonylamino]-3-[phenyl(pyridin-2-yl)amino]propanoate Openeye Name: potassium (2S)-2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]-3-[N-(2-pyridyl)anilino]propanoate CAS Name: potassium (2S)-2-[[[2-[2-(methylamino)-4-pyrimidinyl]-1H-indol-5-yl]-oxomethyl]amino]-3-[N-(2-pyridinyl)anilino]propanoate IUPAC Name: potassium (2S)-2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]-3-(N-pyridin-2-ylanilino)propanoate Traditional Name: potassium (2S)-2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]-3-[N-(2-pyridyl)anilino]propionate Formula: C28H24KN7O3 MolecularWeight: 545.63356

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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=CC=CC=N5)C(=O)[O-].[K+]

Isomeric SMILES

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

InChI

InChI=1S/C28H25N7O3.K/c1-29-28-31-14-12-22(34-28)23-16-19-15-18(10-11-21(19)32-23)26(36)33-24(27(37)38)17-35(20-7-3-2-4-8-20)25-9-5-6-13-30-25;/h2-16,24,32H,17H2,1H3,(H,33,36)(H,37,38)(H,29,31,34);/q;+1/p-1/t24-;/m0./s1