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(2R,4R,5R,6R)-5-acetamido-2-[[(2S,3R,4S,5S,6S)-6-[(2S,3S,4R,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyra

CAS: 501427-93-6 - (2R,4R,5R,6R)-5-acetamido-2-[[(2S,3R,4S,5S,6S)-6-[(2S,3S,4R,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyra

Formula:C31H45N3O21

InChI:InChI=1S/C31H45N3O21/c1-11(37)32-19-15(39)7-31(30(46)47,55-27(19)21(41)16(40)8-35)50-10-18-22(42)24(44)25(45)29(53-18)54-26-17(9-36)52-28(20(23(26)43)33-12(2)38)51-14-5-3-13(4-6-14)34(48)49/h3-6,15-29,35-36,39-45H,7-10H2,1-2H3,(H,32,37)(H,33,38)(H,46,47)/t15-,16+,17+,18+,19+,20+,21+,22-,23+,24-,25+,26+,27+,28+,29-,31+/m0/s1

InChI key:InChIKey=TVDCKIMQUNLKLE-KOLSOZNPSA-N

SMILES:O=C(O)C1(OCC2OC(OC3C(O)C(NC(=O)C)C(OC4=CC=C(C=C4)N(=O)=O)OC3CO)C(O)C(O)C2O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1

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4-Nitrophenyl O-(N-acetyl-a-neuraminosyl)-(2-6)-b-D-galactopyranosyl-(1-4)-2-acetamido-2-deoxy-b-D-glucopyranoside

CAS:501427-93-6

Ref: 3D-EN46141

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