1175-97-9

快速询单

结构式：

1175-97-9MOL文件

CAS号：

1175-97-9

分子式：

C₂₂H₃₄N₄O₄S

分子量：

450.594764232636

1175-97-9(1175-97-9)名称与标识符

标识符

InChIKey：

YSJVIONGMLEATH-YWUHCJSESA-N

Inchi：

1S/C16H19N3O4S.C6H15N/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-4-7(5-2)6-3/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);4-6H2,1-3H3/t9-,10-,11+,14-;/m1./s1

SMILES：

S1C(C)(C)[C@H](C(=O)O)N2C([C@H]([C@@H]12)NC([C@@H](C1C=CC=CC=1)N)=O)=O.N(CC)(CC)CC

1175-97-9(1175-97-9)物化性质

计算特性

精确分子量 : 450.23007675g/mol
氢键供体数量 : 3
氢键受体数量 : 7
可旋转化学键数量 : 7
同位素质量 : 450.23007675g/mol
重原子数量 : 31
复杂度 : 587
同位素原子数量 : 0
确定原子立构中心数量 : 4
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 : 2
拓扑分子极性表面积 : 141Å²

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1175-97-9

1175-97-9(1175-97-9)名称与标识符

标识符

1175-97-9(1175-97-9)物化性质

计算特性

1175-97-9(1175-97-9)相关文献

目录