(2S)-2-AMINO-3-(3,4-BIS[(2S,4S,5S,3R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)(2H-3,4,5,6-TETRAHYDROPYRAN-2-YL)OXY]PHENYL)PROPANOIC ACID

pro_cas
pro_cdbregno
CCD00737990
pro_formula
C21 H31 N O14
pro_molWeight
521.469

basic_info

Product_Name: (2S)-2-AMINO-3-(3,4-BIS[(2S,4S,5S,3R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)(2H-3,4,5,6-TETRAHYDROPYRAN-2-YL)OXY]PHENYL)PROPANOIC ACID
EnglishSynonyms: (2S)-2-AMINO-3-(3,4-BIS[(2S,4S,5S,3R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)(2H-3,4,5,6-TETRAHYDROPYRAN-2-YL)OXY]PHENYL)PROPANOIC ACID ; DI-GLC-DOPA ; 3',4'-DI-O-(BETA-D-GLUCOPYRANOSYL)-L-DOPA ; 3',4'-DI-O-(B-D-GLUCOPYRANOSYL)-L-DOPA
pro_mdlNumber: MFCD09263597
pro_acceptors: 15
pro_donors: 10
pro_smile: c1cc(c(cc1C[C@@H](C(=O)O)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChi: InChI=1S/C21H31NO14/c22-8(19(31)32)3-7-1-2-9(33-20-17(29)15(27)13(25)11(5-23)35-20)10(4-7)34-21-18(30)16(28)14(26)12(6-24)36-21/h1-2,4,8,11-18,20-21,23-30H,3,5-6,22H2,(H,31,32)/t8-,11+,12+,13+,14+,15-,16-,17+,18+,20+,21+/m0/s1
InChiKey: InChIKey=IQXQSZPETDGJKU-SDFCEZQBSA-N

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