tert-butyl 2-[2-azanylethanoyl-[2-[2-[2-[2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[2-azanylethanoyl-[2-[2-[2-[2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethyl]amino]ethanoate Openeye Name: tert-butyl 2-[(2-aminoacetyl)-[2-[2-[2-[2-[[(2R,3R,4S,5R,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]amino]-2-oxo-ethoxy]ethoxy]ethoxy]ethyl]amino]acetate CAS Name: 2-[(2-amino-1-oxoethyl)-[2-[2-[2-[2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-aminoacetyl)-[2-[2-[2-[2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]acetate Traditional Name: 2-[2-[2-[2-[2-[[(2R,3R,4S,5R,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]amino]-2-keto-ethoxy]ethoxy]ethoxy]ethyl-glycyl-amino]acetic acid tert-butyl ester Formula: C42H65N3O24 MolecularWeight: 995.9712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)NC(=O)COCCOCCOCCN(CC(=O)OC(C)(C)C)C(=O)CN)OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)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)COCCOCCOCCN(CC(=O)OC(C)(C)C)C(=O)CN)OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C42H65N3O24/c1-22(46)59-19-29-35(68-41-39(65-28(7)52)37(63-26(5)50)34(61-24(3)48)30(67-41)20-60-23(2)47)36(62-25(4)49)38(64-27(6)51)40(66-29)44-31(53)21-58-16-15-57-14-13-56-12-11-45(32(54)17-43)18-33(55)69-42(8,9)10/h29-30,34-41H,11-21,43H2,1-10H3,(H,44,53)/t29-,30-,34+,35-,36+,37+,38-,39-,40-,41+/m1/s1