(2S,3S,4S,5R,6S)-6-[4-[(3R)-1-(4-ethynylphenyl)-3-[(3S)-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-oxidanylidene-azetidin-2-yl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[4-[(3R)-1-(4-ethynylphenyl)-3-[(3S)-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-oxidanylidene-azetidin-2-yl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[4-[(3R)-1-(4-ethynylphenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxy-propyl]-4-oxo-azetidin-2-yl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[4-[(3R)-1-(4-ethynylphenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-2-azetidinyl]phenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[4-[(3R)-1-(4-ethynylphenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[4-[(3R)-1-(4-ethynylphenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxy-propyl]-4-keto-azetidin-2-yl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C32H30FNO9 MolecularWeight: 591.580303

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)N2C(C(C2=O)CCC(C3=CC=C(C=C3)F)O)C4=CC=C(C=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O

Isomeric SMILES

C#CC1=CC=C(C=C1)N2C([C@H](C2=O)CC[C@@H](C3=CC=C(C=C3)F)O)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

InChI

InChI=1S/C32H30FNO9/c1-2-17-3-11-21(12-4-17)34-25(23(30(34)39)15-16-24(35)18-5-9-20(33)10-6-18)19-7-13-22(14-8-19)42-32-28(38)26(36)27(37)29(43-32)31(40)41/h1,3-14,23-29,32,35-38H,15-16H2,(H,40,41)/t23-,24+,25?,26+,27+,28-,29+,32-/m1/s1