1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[2-[[[[2-[[2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]ethyl]amino]methylene]amino]ethyl]thio]-6-(1-hydroxyethyl)-7-oxo-, [5R-[3[5R,6S(R)],5α,6α(R)]]-

Name: 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[2-[[[[2-[[2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]ethyl]amino]methylene]amino]ethyl]thio]-6-(1-hydroxyethyl)-7-oxo-, [5R-[3[5R*,6S*(R*)],5α,6α(R*)]]-
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CAS No. 85604-01-9
Cat. No. CS-1005049
Molecule weight554.64
Purity≥97%
MDL No.None

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1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[2-[[[[2-[[2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]ethyl]amino]methylene]amino]ethyl]thio]-6-(1-hydroxyethyl)-7-oxo-, [5R-[3[5R*,6S*(R*)],5α,6α(R*)]]-|CS-1005049

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General Information

CAS No. 85604-01-9
Cat. No. CS-1005049
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₃H₃₀N₄O₈S₂
Molecular Weight 554.64
Synonym(s) None
SMILES [C@H](C)(O)[C@@]1([C@@]2(N(C(C(O)=O)=C(SCCN=CNCCSC3=C(C(O)=O)N4[C@](C3)([C@@]([C@@H](C)O)(C4=O)[H])[H])C2)C1=O)[H])[H]

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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 180.07
LogP -0.1139
H_Acceptors 9
H_Donors 5
Rotatable_Bonds 13

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1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[2-[[[[2-[[2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]ethyl]amino]methylene]amino]ethyl]thio]-6-(1-hydroxyethyl)-7-oxo-, [5R-[3[5R,6S(R)],5α,6α(R)]]-

CAS No. 85604-01-9

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