HCID178447169

3-(5-Methyl-1,3,4-thiadiazol-2-yl)thiomethyl-7-[2-hydroxy-2-(2-tert-pentyloxycarbonylamino-1,3-thiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid

(6R)-7-[[2-hydroxy-2-[2-(2-methylbutan-2-yloxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C22H26N6O7S4614.7 g/mol

查看相关反应登录后使用结构检索

IDENTITY

结构与身份

标准SMILES: CCC(C)(C)OC(=O)N=c1[nH]c(C(O)C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnc(C)s4)CS[C@H]23)cs1
InChIKey: PPBLEFPDANOUSK-MKTAYPAQSA-N
分子式: C22H26N6O7S4
平均分子量: 614.7 g/mol
单同位素质量: 614.07458188

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 291 Å²
氢键供体: 4
氢键受体: 14
可旋转键: 11
重原子: 39
形式电荷: 0
复杂度: 1,030

ALIASES

名称与别名

共 5 条

SCHEMBL11004375SCHEMBL11008550PPBLEFPDANOUSK-MKTAYPAQSA-N3-(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl-7-[2-hydroxy-2-(2-tert-pentyloxycarbonylamino-1,3-thiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid3-(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl-7-[2-hydroxy-2-(2-tert-pentyloxycarbonylimino-2,3-dihydro-1,3-thiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid

REACTIONS

参与反应

2 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID325402

uspto-grants-1984_04

作为反应物

uspto-grants-1984_04 · 10.6084/m9.figshare.5104873.v1 · US04440766

查看

HRID638453

uspto-grants-1985_12

作为反应物

uspto-grants-1985_12 · 10.6084/m9.figshare.5104873.v1 · US04560765

查看