tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxidanylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]pentanoate

Systemtic Name: tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxidanylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]pentanoate Openeye Name: tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]pentanoate CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-5-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]pentanoate Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-keto-5-[[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]valeric acid tert-butyl ester Formula: C38H46N2O14 MolecularWeight: 754.77684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)NC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)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)NC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C38H46N2O14/c1-20(41)48-19-30-32(50-21(2)42)33(51-22(3)43)34(52-23(4)44)35(53-30)40-31(45)17-16-29(36(46)54-38(5,6)7)39-37(47)49-18-28-26-14-10-8-12-24(26)25-13-9-11-15-27(25)28/h8-15,28-30,32-35H,16-19H2,1-7H3,(H,39,47)(H,40,45)/t29-,30+,32-,33-,34+,35+/m0/s1