29625-73-8
2-ACETAMIDO-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-1-N-(BETA-L-ASPARTYL)-2-DEOXY-BETA-D-GLUCOPYRANOSYLAMINE
Name2-ACETAMIDO-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-1-N-(BETA-L-ASPARTYL)-2-DEOXY-BETA-D-GLUCOPYRANOSYLAMINE
pro_formulaC20 H34 N4 O13
1Identification
【Name】
2-ACETAMIDO-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-1-N-(BETA-L-ASPARTYL)-2-DEOXY-BETA-D-GLUCOPYRANOSYLAMINE
【CAS】
【MDL】
MFCD00132937
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H34 N4 O13
【pro_molWeight】
538.504
【Inchi】
InChI=1S/C20H34N4O13/c1-6(27)22-12-16(32)17(10(5-26)35-18(12)24-11(29)3-8(21)19(33)34)37-20-13(23-7(2)28)15(31)14(30)9(4-25)36-20/h8-10,12-18,20,25-26,30-32H,3-5,21H2,1-2H3,(H,22,27)(H,23,28)(H,24,29)(H,33,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,18+,20-/m0/s1
【InChIKey】
InChIKey=AHYSACAYJKXBGC-RUOQRSLFSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)O)N)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O
【MOL File】
2-ACETAMIDO-4-O-(2-A….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:10
pro_acceptors:17
XLogP3:-8.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-ACETAMIDO-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-1-N-(BETA-L-ASPARTYL)-2-DEOXY-BETA-D-GLUCOPYRANOSYLAMINE.cml