AD55300
134395-00-9 | (3R,5R)-tert-Butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
Manufacturer: A2B Chem
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CatalogNumber
AD55300
ChemicalName
(3R,5R)-tert-Butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
CasNumber
134395-00-9
MolecularFormula
C37H43FN2O5
MolecularWeight
614.7461
MdlNumber
MFCD09839952
Smiles
O[C@@H](C[C@H](CC(=O)OC(C)(C)C)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1
Complexity
920
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
45
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
14
Xlogp3
6.3
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CatalogNumber: AD55300
ChemicalName: (3R,5R)-tert-Butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
CasNumber: 134395-00-9
MolecularFormula: C37H43FN2O5
MolecularWeight: 614.7461
MdlNumber: MFCD09839952
Smiles: O[C@@H](C[C@H](CC(=O)OC(C)(C)C)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1
Complexity: 920
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 45
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 14
Xlogp3: 6.3
CatalogNumber:
AD55300
ChemicalName:
(3R,5R)-tert-Butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
CasNumber:
134395-00-9
MolecularFormula:
C37H43FN2O5
MolecularWeight:
614.7461
MdlNumber:
MFCD09839952
Smiles:
O[C@@H](C[C@H](CC(=O)OC(C)(C)C)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1
Complexity:
920
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
45
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
14
Xlogp3:
6.3
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Smiles: Brc1cnccc1[Si](C)(C)C
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Brc1cnccc1[Si](C)(C)C
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Smiles: [O-][Si]([O-])([O-])[O-].[Mg+2].[Mg+2]
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[O-][Si]([O-])([O-])[O-].[Mg+2].[Mg+2]
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Smiles: ClC(=O)c1cc(cc(c1)C(=O)Cl)[N+](=O)[O-]
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Smiles:
ClC(=O)c1cc(cc(c1)C(=O)Cl)[N+](=O)[O-]
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DefinedAtomStereocenterCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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