(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[6-(5-fluoranyl-2,3-dihydroindol-1-yl)-2-methyl-pyrimidin-4-yl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-(methylamino)propanamide

Systemtic Name: (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[6-(5-fluoranyl-2,3-dihydroindol-1-yl)-2-methyl-pyrimidin-4-yl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-(methylamino)propanamide Openeye Name: (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[6-(5-fluoroindolin-1-yl)-2-methyl-pyrimidin-4-yl]pyrrolidin-1-yl]-2-oxo-ethyl]-2-(methylamino)propanamide CAS Name: (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[6-(5-fluoro-2,3-dihydroindol-1-yl)-2-methyl-4-pyrimidinyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)propanamide IUPAC Name: (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[6-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide Traditional Name: (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[6-(5-fluoroindolin-1-yl)-2-methyl-pyrimidin-4-yl]pyrrolidino]-2-keto-ethyl]-2-(methylamino)propionamide Formula: C29H39FN6O2 MolecularWeight: 522.657363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCC3=C2C=CC(=C3)F)C4CCCN4C(=O)C(C5CCCCC5)NC(=O)C(C)NC

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCC3=C2C=CC(=C3)F)[C@@H]4CCCN4C(=O)[C@H](C5CCCCC5)NC(=O)[C@H](C)NC

InChI

InChI=1S/C29H39FN6O2/c1-18(31-3)28(37)34-27(20-8-5-4-6-9-20)29(38)36-14-7-10-25(36)23-17-26(33-19(2)32-23)35-15-13-21-16-22(30)11-12-24(21)35/h11-12,16-18,20,25,27,31H,4-10,13-15H2,1-3H3,(H,34,37)/t18-,25-,27-/m0/s1