(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[[(2R,3R,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl]phenyl]propanoic acid

Systemtic Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[[(2R,3R,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl]phenyl]propanoic acid Openeye Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[[(2R,3R,4R,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]methyl]phenyl]propanoic acid CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[4-[[(2R,3R,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]methyl]phenyl]propanoic acid IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[[(2R,3R,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl]phenyl]propanoic acid Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[[(2R,3R,4R,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]methyl]phenyl]propionic acid Formula: C39H41NO13 MolecularWeight: 731.74174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)CC2=CC=C(C=C2)CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C39H41NO13/c1-21(41)48-20-34-36(51-23(3)43)37(52-24(4)44)35(50-22(2)42)33(53-34)18-26-15-13-25(14-16-26)17-32(38(45)46)40-39(47)49-19-31-29-11-7-5-9-27(29)28-10-6-8-12-30(28)31/h5-16,31-37H,17-20H2,1-4H3,(H,40,47)(H,45,46)/t32-,33+,34+,35+,36+,37+/m0/s1