InChI=1S/C45H63N3O12/c1-22(2)21-47-16-18-48(19-17-47)35-34-39(53)32-31(40(35)54)33-42(28(8)38(32)52)60-45(10,43(33)55)58-20-15-30(57-11)25(5)41(59-29(9)49)27(7)37(51)26(6)36(50)23(3)13-12-14-24(4)44(56)46-34/h12-15,20,22-23,25-27,30,36-37,41,50-54H,16-19,21H2,1-11H3,(H,46,56)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,36-,37+,41+,45-/m0/s1

【InChIKey】

InChIKey=XUBKCCSAVNRWOX-BVHPQESASA-N

【SMILES】

Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)N5CCN(CC5)CC(C)C)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O

【MOL File】

异丁基哌嗪利福霉素.mol

2ChemicalProperties

【ComputedProperties】

pro_donors:6

pro_acceptors:15

XLogP3:5.0

Bulk/Fine:F

3MaterialMSDS

4CMLFile

异丁基哌嗪利福霉素.cml

quick_release

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57184-22-2 异丁基哌嗪利福霉素

1Identification

【Name】

【CAS】

【MDL】

【中文同义词】

【EnglishSynonyms】

【pro_formula】

【pro_molWeight】

【Inchi】