(2S)-1-[2-[[1-[[(3aR,6R,7S,7aS)-2,2-dimethyl-6,7-bis(oxidanyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl]piperidin-4-yl]amino]ethanoyl]-4-(fluoranylmethyl)pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[2-[[1-[[(3aR,6R,7S,7aS)-2,2-dimethyl-6,7-bis(oxidanyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl]piperidin-4-yl]amino]ethanoyl]-4-(fluoranylmethyl)pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[[1-[[(3aR,6R,7S,7aS)-6,7-dihydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl]-4-piperidyl]amino]acetyl]-4-(fluoromethyl)pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[2-[[1-[[(3aR,6R,7S,7aS)-6,7-dihydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl]-4-piperidinyl]amino]-1-oxoethyl]-4-(fluoromethyl)-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-[[1-[[(3aR,6R,7S,7aS)-6,7-dihydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl]piperidin-4-yl]amino]acetyl]-4-(fluoromethyl)pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[[1-[[(3aR,6R,7S,7aS)-6,7-dihydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl]-4-piperidyl]amino]acetyl]-4-(fluoromethyl)pyrrolidine-2-carbonitrile Formula: C22H35FN4O6 MolecularWeight: 470.534903

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2COC(C(C2O1)O)(CN3CCC(CC3)NCC(=O)N4CC(CC4C#N)CF)O)C

Isomeric SMILES

CC1(O[C@@H]2CO[C@@]([C@H]([C@@H]2O1)O)(CN3CCC(CC3)NCC(=O)N4CC(C[C@H]4C#N)CF)O)C

InChI

InChI=1S/C22H35FN4O6/c1-21(2)32-17-12-31-22(30,20(29)19(17)33-21)13-26-5-3-15(4-6-26)25-10-18(28)27-11-14(8-23)7-16(27)9-24/h14-17,19-20,25,29-30H,3-8,10-13H2,1-2H3/t14?,16-,17+,19+,20-,22+/m0/s1