(phenylmethyl) (2S)-3-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-(diethanoylamino)oxan-2-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-3-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-(diethanoylamino)oxan-2-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-3-[(2R,3R,4R,5S,6R)-4,5-diacetoxy-6-(acetoxymethyl)-3-(diacetylamino)tetrahydropyran-2-yl]oxy-propanoate CAS Name: (2S)-3-[[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-(diacetylamino)-2-oxanyl]oxy]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-(diacetylamino)oxan-2-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[(2R,3R,4R,5S,6R)-4,5-diacetoxy-6-(acetoxymethyl)-3-(diacetylamino)tetrahydropyran-2-yl]oxy-propionic acid benzyl ester Formula: C31H42N2O14 MolecularWeight: 666.67018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1C(C(C(OC1OCC(C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)COC(=O)C)OC(=O)C)OC(=O)C)C(=O)C

Isomeric SMILES

CC(=O)N([C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)COC(=O)C)OC(=O)C)OC(=O)C)C(=O)C

InChI

InChI=1S/C31H42N2O14/c1-17(34)33(18(2)35)25-27(45-21(5)38)26(44-20(4)37)24(16-41-19(3)36)46-29(25)43-15-23(32-30(40)47-31(6,7)8)28(39)42-14-22-12-10-9-11-13-22/h9-13,23-27,29H,14-16H2,1-8H3,(H,32,40)/t23-,24+,25+,26+,27+,29+/m0/s1