AD49358
153-61-7 | (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD49358
ChemicalName
(6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CasNumber
153-61-7
MolecularFormula
C16H16N2O6S2
MolecularWeight
396.438
MdlNumber
MFCD00242614
Smiles
CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1cccs1
Complexity
680
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
26
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
-0.4
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CatalogNumber: AD49358
ChemicalName: (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CasNumber: 153-61-7
MolecularFormula: C16H16N2O6S2
MolecularWeight: 396.438
MdlNumber: MFCD00242614
Smiles: CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1cccs1
Complexity: 680
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: -0.4
CatalogNumber:
AD49358
ChemicalName:
(6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CasNumber:
153-61-7
MolecularFormula:
C16H16N2O6S2
MolecularWeight:
396.438
MdlNumber:
MFCD00242614
Smiles:
CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1cccs1
Complexity:
680
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
-0.4
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Smiles: COC(=O)c1cc2[nH]ccc2cc1C(=O)OC
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COC(=O)c1cc2[nH]ccc2cc1C(=O)OC
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Smiles: Nc1nnc(s1)Cc1c[nH]c2c1cccc2
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Nc1nnc(s1)Cc1c[nH]c2c1cccc2
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Smiles: O=Cc1ccc(c(c1)OC1CCCC1)OC(F)F
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Smiles:
O=Cc1ccc(c(c1)OC1CCCC1)OC(F)F
Complexity:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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