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Lactoyl-CoA
Triclocarban
133-53-9
88-04-0
β-Fructofuranosidase
chem960
10004-67-8
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[(3-aminotricyclo[3.3.1.13,7]dec-1-yl)carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)- | 10004-67-8
Product Name:4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[(3-aminotricyclo[3.3.1.13,7]dec-1-yl)carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-
CAS No:
10004-67-8
MF:C19H27N3O4S
MW:393.50038
CID:142195
PubChem ID:
10318432
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Basic Information
Names and Identifiers
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[(3-aminotricyclo[3.3.1.13,7]dec-1-yl)carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-
(2S,5R,6R)-6-[[(5R,7S)-3-aminoadamantane-1-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[(3-aminotricyclo[3.3.1.13,7]dec-1-yl)ca...
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[(3-aminotricyclo[3.3.1.13,7]dec-1-yl)carbonyl]amino]-3,3-dimethyl-7-ox
Amantocillin
(2S,5R,6R)-6-({[(5R,7S)-3-aminotricyclo[3.3.1.13,7]dec-1-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(3-Amino-1-adamantyl)penicillin
(3-Amino-adamantyl)-penicillin
AC1L52S0
AG-K-05433
Amantocillin [INN]
Amantocillinum
CTK7I3357
SureCN2109437
UNII-GV5ZHU20H9
(6S)-6β-[(3-Amino-1-adamantyl)carbonylamino]penicillanic acid
6-(3-Amino-1-adamantanecarboxamido)penicillansaeure
(2S,5R,6R)-6-(3-Aminoadamantane-1-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((3-AMINOTRICYCLO(3.3.1.13,7)DEC-1-YL)CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S,5R,6R)-
GV5ZHU20H9
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-aminotricyclo(3.3.1.13,7)dec-1-yl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,5beta))-
6-(3-Amino-1-adamantanecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-6-[(3-aminoadamantane-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-6-(3-Amino-1-adamantancarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-amino-1-adamantanecarboxamido)-3,3-dimethyl-7-oxo-
6-(3-Amino-1-adamantanecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
CHEMBL2107667
AKOS040746558
10004-67-8
Q27279304
+ expand
InChIKey:AZGNYRUNQKZSJQ-LBFZHLRGSA-N
Inchi:InChI=1S/C19H27N3O4S/c1-17(2)12(15(24)25)22-13(23)11(14(22)27-17)21-16(26)18-4-9-3-10(5-18)7-19(20,6-9)8-18/h9-12,14H,3-8,20H2,1-2H3,(H,21,26)(H,24,25)/t9-,10+,11-,12+,14-,18?,19?/m1/s1
SMILES:OC([C@H]1C(C)(C)S[C@@H]2[C@@H](C(=O)N12)NC(C12C[C@@H]3C[C@H](C1)CC(C3)(N)C2)=O)=O
Chemical and Physical Properties
Computed Properties
精确分子量: 407.18807
氢键供体数量: 3
氢键受体数量: 6
可旋转化学键数量: 3
同位素质量: 393.172227
重原子数量: 27
复杂度: 739
同位素原子数量: 0
确定原子立构中心数量: 5
不确定原子立构中心数量: 0
确定化学键立构中心数量: 0
不确定化学键立构中心数量: 0
共价键单元数量: 1
疏水参数计算参考值(XlogP): none
互变异构体数量: 4
表面电荷: 0
拓扑分子极性表面积: 138
Experimental Properties
LogP: 2.78440
PSA: 112.73
折射率: 1.655
Related Literature
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New rhodium-catalyzed amination reactions??
Harald Trauthwein,Annegret Tillack,Matthias Beller
Chem. Commun. 1999 2029
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