(2S,3R,4R)-4-[bis(2,2-dimethylpropanoyloxymethoxycarbonylamino)methylideneamino]-2-[(2R)-1-fluoranyl-2,3-bis(oxidanyl)propyl]-3-(methoxycarbonylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: (2S,3R,4R)-4-[bis(2,2-dimethylpropanoyloxymethoxycarbonylamino)methylideneamino]-2-[(2R)-1-fluoranyl-2,3-bis(oxidanyl)propyl]-3-(methoxycarbonylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: (2S,3R,4R)-4-[bis(2,2-dimethylpropanoyloxymethoxycarbonylamino)methyleneamino]-2-[(2R)-1-fluoro-2,3-dihydroxy-propyl]-3-(methoxycarbonylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: (2S,3R,4R)-4-[bis[[(2,2-dimethyl-1-oxopropoxy)methoxy-oxomethyl]amino]methylideneamino]-2-[(2R)-1-fluoro-2,3-dihydroxypropyl]-3-(methoxycarbonylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: (2S,3R,4R)-4-[bis(2,2-dimethylpropanoyloxymethoxycarbonylamino)methylideneamino]-2-[(2R)-1-fluoro-2,3-dihydroxypropyl]-3-(methoxycarbonylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: (2S,3R,4R)-4-[bis(pivaloyloxymethoxycarbonylamino)methyleneamino]-3-(carbomethoxyamino)-2-[(2R)-1-fluoro-2,3-dihydroxy-propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C26H39FN4O15 MolecularWeight: 666.604063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)NC(=NC1C=C(OC(C1NC(=O)OC)C(C(CO)O)F)C(=O)O)NC(=O)OCOC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)NC(=N[C@@H]1C=C(O[C@@H]([C@@H]1NC(=O)OC)C([C@@H](CO)O)F)C(=O)O)NC(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C26H39FN4O15/c1-25(2,3)19(36)42-10-44-23(39)30-21(31-24(40)45-11-43-20(37)26(4,5)6)28-12-8-14(18(34)35)46-17(15(27)13(33)9-32)16(12)29-22(38)41-7/h8,12-13,15-17,32-33H,9-11H2,1-7H3,(H,29,38)(H,34,35)(H2,28,30,31,39,40)/t12-,13-,15?,16-,17-/m1/s1