HCID68808181

Diphenylmethyl (6R,7R)-8-oxo-7-((phenylacetyl)amino)-3-((4-(pyridin-4-yl)-1,3-thiazol-2-yl)thio)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate

benzhydryl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C36H28N4O4S3676.8 g/molCAS 400827-68-1

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IDENTITY

结构与身份

标准SMILES: O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(Sc3nc(-c4ccncc4)cs3)CS[C@H]12
InChIKey: VXJFBSXELWIKCO-KAODMTDESA-N
分子式: C36H28N4O4S3
平均分子量: 676.8 g/mol
单同位素质量: 676.12726891

COMPUTED

结构计算性质

已同步

XLogP: 6.3
极性表面积: 180 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 11
重原子: 47
形式电荷: 0
复杂度: 1,130

GHS

GHS分类

GHS Classification

Not Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

Regulatory Information

Status: Active Update: 07-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29974

Hazard Classes and Categories

Not Classified

REGULATORY

法规信息

Regulatory Information

Status: Active Update: 07-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29974

ALIASES

名称与别名

共 20 条

EC 609-782-3Diphenylmethyl (6R,7R)-8-oxo-7-((phenylacetyl)amino)-3-((4-(pyridin-4-yl)-1,3-thiazol-2-yl)thio)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylateDiphenylmethyl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateDiphenylmethyl (6R,7R)-8-oxo-7-((2-phenylacetyl)amino)-3-((4-(4-pyridinyl)-2-thiazolyl)thio)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylateDiphenylmethyl (6R,7R)-8-oxo-7-[(phenylacetyl)amino]-3-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]thio}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateRefChem:588928609-782-3400827-68-15-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-, diphenylmethyl ester, (6R,7R)-Diphenylmethyl (6R,7R)-8-oxo-7- ((phenylacetyl)amino)-3-((4-(pyridin-4-yl)-1,3-thiazol-2-yl)thio)-5-thia-1- azabicyclo(4.2.0)oct-2-ene-2-carboxylate(6R,7R)-Benzhydryl 8-oxo-7-(2-phenylacetamido)-3-((4-(pyridin-4-yl)thiazol-2-yl)thio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSCHEMBL3835491VXJFBSXELWIKCO-KAODMTDESA-NDTXSID501100987NS00001112Benzhydryl 7beta-[(phenylacetyl)amino]-3-[4-pyridyl-2-thiazolylthio]-3-cephem-4-carboxylateBenzhydryl 7beta-phenylacetylamino-3-[4-(4-pyridyl)-2-thiazolylthio]-3-cephem-4-carboxylatebenzhydryl (6R,7R)-8-oxo-7-(2-phenylacetamido)-3-((4-(pyridin-4-yl)thiazol-2-yl)thio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylatebenzhydryl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateBenzhydryl 7beta-[(phenylacetyl)amino]-3-[4-(4-pyridyl)-2-thiazolylthio]-3-cephem-4-carboxylate

REACTIONS