(3S,4S,5S,6S)-6-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (3S,4S,5S,6S)-6-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (3S,4S,5S,6S)-6-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (3S,4S,5S,6S)-6-[[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (3S,4S,5S,6S)-6-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (3S,4S,5S,6S)-6-[[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C23H33N3O8 MolecularWeight: 479.52342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)OC5C(C(C(C(O5)C(=O)O)O)O)O)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O[C@H]5[C@H]([C@H]([C@@H](C(O5)C(=O)O)O)O)O)C#N

InChI

InChI=1S/C23H33N3O8/c24-9-14-2-1-3-26(14)15(27)10-25-22-5-12-4-13(6-22)8-23(7-12,11-22)34-21-18(30)16(28)17(29)19(33-21)20(31)32/h12-14,16-19,21,25,28-30H,1-8,10-11H2,(H,31,32)/t12?,13?,14-,16-,17-,18-,19?,21-,22?,23?/m0/s1