(1S)-1-[[3-fluoranyl-5-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbonylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

Systemtic Name: (1S)-1-[[3-fluoranyl-5-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbonylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid Openeye Name: (1S)-1-[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-indane-5-carboxylic acid CAS Name: (1S)-1-[[[3-fluoro-5-[oxo-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]methyl]-7-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid IUPAC Name: (1S)-1-[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid Traditional Name: (1S)-1-[[3-fluoro-5-[(3-keto-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-indane-5-carboxylic acid Formula: C28H23FN6O6 MolecularWeight: 558.517223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1CCC2NC(=O)C3=CC(=NC4=C(C=NN34)F)C(=O)NCC5=CC6=C(C=C5)OCC(=O)N6)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1CC[C@@H]2NC(=O)C3=CC(=NC4=C(C=NN34)F)C(=O)NCC5=CC6=C(C=C5)OCC(=O)N6)C(=O)O

InChI

InChI=1S/C28H23FN6O6/c1-13-15-5-6-19(17(15)4-3-16(13)28(39)40)34-27(38)22-9-21(33-25-18(29)11-31-35(22)25)26(37)30-10-14-2-7-23-20(8-14)32-24(36)12-41-23/h2-4,7-9,11,19H,5-6,10,12H2,1H3,(H,30,37)(H,32,36)(H,34,38)(H,39,40)/t19-/m0/s1