尿囊素泛酸钙 allantoin calcium pantothenate
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iupac名称 IUPAC Name :calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;(2,5-dioxoimidazolidin-4-yl)urea
INCHI InChI :INCHI InChI=1/C9H17NO5.C4H6N4O3.Ca/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;5-3(10)6-1-2(9)8-4(11)7-1;/h7,11,14H,3-5H2,1-2 3 1-2H3,(H,10,15)(H,12,13);1H,(H3,5,6,10)(H2,7,8,9,11);/q;;+2/t7-;;/m0../s1
印地 Std.InChI: INCHI InChI=1S/C9H17NO5.C4H6N4O3.Ca/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;5-3(10)6-1-2(9)8-4(11)7-1;/h7,11,14H,3-5H2,1-2 3 1-2H3,(H,10,15)(H,12,13);1H,(H3,5,6,10)(H2,7,8,9,11);/q;;+2/t7-;;/m0../s1
INCHI基 InChIKey :RKHUXMOKLPDAKM-KLXURFKVBV
标准奇奇 Std.InChIKey: RKHUXMOKLPDAKM-KLXURFKVSA-N
微笑 SMILES :cc CC(C)(co CO)[c @ h C@H](C(= o =O)nccc Ncc CCC(= o =O)O)O.C1(C(= o =O)数控 NC(= o =O)N1)数控 NC(= o =O)N.[Ca+2]