68403-42-9 ((5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[2-(formylamino)-4-thiazolyl][(pentyloxy)imino]acetyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]- (9CI))

结构式：

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[2-(formylamino)-4-thiazolyl][(pentyloxy)imino]acetyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]- (9CI)MOL文件

CAS号：

68403-42-9

英文名称：

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[2-(formylamino)-4-thiazolyl][(pentyloxy)imino]acetyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]- (9CI)

分子式：

C₁₈H₂₁N₅O₆S₂

分子量：

467.519241094589

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[2-(formylamino)-4-thiazolyl][(pentyloxy)imino]acetyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]- (9CI)(68403-42-9)名称与标识符

名称

英文别名：

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[2-(formylamino)-4-thiazolyl][(pentyloxy)imino]acetyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]- (9CI);

标识符

InChIKey：

SKWPZKHCDIORLU-SGSOJSBASA-N

Inchi：

1S/C18H21N5O6S2/c1-2-3-4-6-29-22-12(10-8-31-18(20-10)19-9-24)14(25)21-13-15(26)23-11(17(27)28)5-7-30-16(13)23/h5,8-9,13,16H,2-4,6-7H2,1H3,(H,21,25)(H,27,28)(H,19,20,24)/b22-12-/t13-,16-/m1/s1

SMILES：

N12[C@@]([H])([C@H](NC(/C(/C3=CSC(NC=O)=N3)=N\OCCCCC)=O)C1=O)SCC=C2C(O)=O

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[2-(formylamino)-4-thiazolyl][(pentyloxy)imino]acetyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]- (9CI)(68403-42-9)物化性质

实验特性

酸度系数(pKa) : 2.99±0.50(Predicted)
密度 : 1.62±0.1 g/cm3(Predicted)

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68403-42-9 ((5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[2-(formylamino)-4-thiazolyl][(pentyloxy)imino]acetyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]- (9CI))

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[2-(formylamino)-4-thiazolyl][(pentyloxy)imino]acetyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]- (9CI)(68403-42-9)名称与标识符

名称

标识符

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[2-(formylamino)-4-thiazolyl][(pentyloxy)imino]acetyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]- (9CI)(68403-42-9)物化性质

实验特性

目录