1. chem960
  2. 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
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
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
  • 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
Related Products
©2008-2025 chem960.com All rights reserved