(2S)-3-[(2S,3R,4S,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-fluoranyl-oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[(2S,3R,4S,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-fluoranyl-oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-3-[(2S,3R,4S,5R,6R)-4,5-diacetoxy-6-(acetoxymethyl)-3-fluoro-tetrahydropyran-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid CAS Name: (2S)-3-[[(2S,3R,4S,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-fluoro-2-oxanyl]oxy]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid IUPAC Name: (2S)-3-[(2S,3R,4S,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-fluorooxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-3-[(2S,3R,4S,5R,6R)-4,5-diacetoxy-6-(acetoxymethyl)-3-fluoro-tetrahydropyran-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid Formula: C30H32FNO12 MolecularWeight: 617.572983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)F)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)F)OC(=O)C)OC(=O)C

InChI

InChI=1S/C30H32FNO12/c1-15(33)39-14-24-26(42-16(2)34)27(43-17(3)35)25(31)29(44-24)40-13-23(28(36)37)32-30(38)41-12-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,22-27,29H,12-14H2,1-3H3,(H,32,38)(H,36,37)/t23-,24+,25+,26+,27+,29-/m0/s1