(6R,7S)-Benzhydryl 7-((R)-6-(benzhydryloxy)-6-oxo-5-(((2,2,2-trichloroethoxy)carbonyl)amino)hexanamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Name: (6R,7S)-Benzhydryl 7-((R)-6-(benzhydryloxy)-6-oxo-5-(((2,2,2-trichloroethoxy)carbonyl)amino)hexanamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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CAS No. 80194-18-9
Cat. No. CS-0997306
Purity≥98%
MDL No.None

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(6R,7S)-Benzhydryl 7-((R)-6-(benzhydryloxy)-6-oxo-5-(((2,2,2-trichloroethoxy)carbonyl)amino)hexanamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|CS-0997306

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General Information

CAS No. 80194-18-9
Cat. No. CS-0997306
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄₆H₄₄Cl₃N₇O₉S₂
Molecular Weight 1009.37
Synonym(s) None
SMILES O=C(OC(C1=CC=CC=C1)C2=CC=CC=C2)[C@H](NC(OCC(Cl)(Cl)Cl)=O)CCCC(N[C@]3([C@]4([H])N(C(C(OC(C5=CC=CC=C5)C6=CC=CC=C6)=O)=C(CS4)CSC7=NN=NN7C)C3=O)OC)=O

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 193.17
LogP 7.2312
H_Acceptors 15
H_Donors 2
Rotatable_Bonds 19

Other Classifications

Building Blocks Functional Group Thioether

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ether

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Building Blocks Skeleton Aromatic heterocycle compounds Tetrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Biology Peptide Chemistry Unnatural Amino Acid Derivatives

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(6R,7S)-Benzhydryl 7-((R)-6-(benzhydryloxy)-6-oxo-5-(((2,2,2-trichloroethoxy)carbonyl)amino)hexanamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS No. 80194-18-9

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