(2S,3R,4R,5S,6S)-2-[[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4,5,6-tris(oxidanyl)oxane-3-carboxylic acid

Systemtic Name: (2S,3R,4R,5S,6S)-2-[[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4,5,6-tris(oxidanyl)oxane-3-carboxylic acid Openeye Name: (2S,3R,4R,5S,6S)-2-[[7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4,5,6-trihydroxy-tetrahydropyran-3-carboxylic acid CAS Name: (2S,3R,4R,5S,6S)-2-[[7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4,5,6-trihydroxy-3-oxanecarboxylic acid IUPAC Name: (2S,3R,4R,5S,6S)-2-[[7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4,5,6-trihydroxyoxane-3-carboxylic acid Traditional Name: (2S,3R,4R,5S,6S)-2-[[7-chloro-5-(2-fluorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4,5,6-trihydroxy-tetrahydropyran-3-carboxylic acid Formula: C21H18ClFN2O8 MolecularWeight: 480.827623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OC4C(C(C(C(O4)O)O)O)C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)O)O)O)C(=O)O)F

InChI

InChI=1S/C21H18ClFN2O8/c22-8-5-6-12-10(7-8)14(9-3-1-2-4-11(9)23)25-18(17(28)24-12)32-21-13(19(29)30)15(26)16(27)20(31)33-21/h1-7,13,15-16,18,20-21,26-27,31H,(H,24,28)(H,29,30)/t13-,15+,16-,18?,20-,21-/m0/s1