AB54642
376608-71-8 | (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2r)-hydroxy(phenyl)ethanoate
Manufacturer: A2B Chem
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CatalogNumber
AB54642
ChemicalName
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2r)-hydroxy(phenyl)ethanoate
CasNumber
376608-71-8
MolecularFormula
C17H17F2NO3
MolecularWeight
321.31858639999996
MdlNumber
MFCD21362980
Smiles
O[C@H](c1ccccc1)C(=O)[O-].Fc1ccc(cc1F)[C@@H]1C[C@H]1[NH3+]
Complexity
312
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
3
HeavyAtomCount
23
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
3
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CatalogNumber: AB54642
ChemicalName: (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2r)-hydroxy(phenyl)ethanoate
CasNumber: 376608-71-8
MolecularFormula: C17H17F2NO3
MolecularWeight: 321.31858639999996
MdlNumber: MFCD21362980
Smiles: O[C@H](c1ccccc1)C(=O)[O-].Fc1ccc(cc1F)[C@@H]1C[C@H]1[NH3+]
Complexity: 312
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AB54642
ChemicalName:
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2r)-hydroxy(phenyl)ethanoate
CasNumber:
376608-71-8
MolecularFormula:
C17H17F2NO3
MolecularWeight:
321.31858639999996
MdlNumber:
MFCD21362980
Smiles:
O[C@H](c1ccccc1)C(=O)[O-].Fc1ccc(cc1F)[C@@H]1C[C@H]1[NH3+]
Complexity:
312
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Cc1cc(C)c(c(c1)C)S(=O)(=O)N([C@H]([C@@H](c1ccccc1)O)C)Cc1ccccc1
Complexity: __
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Smiles:
Cc1cc(C)c(c(c1)C)S(=O)(=O)N([C@H]([C@@H](c1ccccc1)O)C)Cc1ccccc1
Complexity:
__
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Smiles: CC(=O)O[C@@H]([C@@H](N(S(=O)(=O)c1c(C)cc(cc1C)C)Cc1ccccc1)C)c1ccccc1
Complexity: __
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Smiles:
CC(=O)O[C@@H]([C@@H](N(S(=O)(=O)c1c(C)cc(cc1C)C)Cc1ccccc1)C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB54645
ChemicalName: (1R,2S)-2-Amino-1-(N-boc-amino)cyclopentane
CasNumber: 721395-15-9
MolecularFormula: C10H20N2O2
MolecularWeight: 200.278
MdlNumber: MFCD12828694
Smiles: O=C(OC(C)(C)C)N[C@@H]1CCC[C@@H]1N
Complexity: 211
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AB54645
ChemicalName:
(1R,2S)-2-Amino-1-(N-boc-amino)cyclopentane
CasNumber:
721395-15-9
MolecularFormula:
C10H20N2O2
MolecularWeight:
200.278
MdlNumber:
MFCD12828694
Smiles:
O=C(OC(C)(C)C)N[C@@H]1CCC[C@@H]1N
Complexity:
211
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3