7-(2-(2-Amino-4-thiazolyl)-2-((1-(3-(3,4-dihydroxybenzoyl)carbazoyl)-1-methylethoxy)imino)acetamido)-3-(((2-(hydroxymethyl)-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

Base Information

Chemical Name:7-(2-(2-Amino-4-thiazolyl)-2-((1-(3-(3,4-dihydroxybenzoyl)carbazoyl)-1-methylethoxy)imino)acetamido)-3-(((2-(hydroxymethyl)-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
CAS No.:134452-47-4
Molecular Formula:C31H31N11O10S3
Molecular Weight:813.8405
Hs Code.:
Mol file:134452-47-4.mol

7-(2-(2-Amino-4-thiazolyl)-2-((1-(3-(3,4-dihydroxybenzoyl)carbazoyl)-1-methylethoxy)imino)acetamido)-3-(((2-(hydroxymethyl)-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

Synonyms:7-(2-(2-amino-4-thiazolyl)-2-((1-(3-(3,4-dihydroxybenzoyl)carbazoyl)-1-methylethoxy)imino)acetamido)-3-(((2-(hydroxymethyl)-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid;Ro 09-1428;Ro-09-1428

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Chemical Property of 7-(2-(2-Amino-4-thiazolyl)-2-((1-(3-(3,4-dihydroxybenzoyl)carbazoyl)-1-methylethoxy)imino)acetamido)-3-(((2-(hydroxymethyl)-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.83g/cm³
XLogP3:0.6
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:12
Exact Mass:813.14174975
Heavy Atom Count:55
Complexity:1590

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Canonical SMILES:CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4C(C(C4=O)NC(=O)C(=NOC(C)(C)C(=O)NNC(=O)C5=CC(=C(C=C5)O)O)C6=CSC(=N6)N)SC3)C(=O)O)CO
Isomeric SMILES:CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4C(C(C4=O)NC(=O)/C(=N/OC(C)(C)C(=O)NNC(=O)C5=CC(=C(C=C5)O)O)/C6=CSC(=N6)N)SC3)C(=O)O)CO

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Technology Process of 7-(2-(2-Amino-4-thiazolyl)-2-((1-(3-(3,4-dihydroxybenzoyl)carbazoyl)-1-methylethoxy)imino)acetamido)-3-(((2-(hydroxymethyl)-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

7-(2-(2-Amino-4-thiazolyl)-2-((1-(3-(3,4-dihydroxybenzoyl)carbazoyl)-1-methylethoxy)imino)acetamido)-3-(((2-(hydroxymethyl)-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

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