AB71400
269726-74-1 | (R)-3-((tert-Butoxycarbonyl)amino)-4-(3-(trifluoromethyl)phenyl)butanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB71400
ChemicalName
(R)-3-((tert-Butoxycarbonyl)amino)-4-(3-(trifluoromethyl)phenyl)butanoic acid
CasNumber
269726-74-1
MolecularFormula
C16H20F3NO4
MolecularWeight
347.3295
MdlNumber
MFCD01860969
Smiles
OC(=O)C[C@@H](Cc1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C
Complexity
446
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
3.3
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CatalogNumber: AB71400
ChemicalName: (R)-3-((tert-Butoxycarbonyl)amino)-4-(3-(trifluoromethyl)phenyl)butanoic acid
CasNumber: 269726-74-1
MolecularFormula: C16H20F3NO4
MolecularWeight: 347.3295
MdlNumber: MFCD01860969
Smiles: OC(=O)C[C@@H](Cc1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C
Complexity: 446
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 3.3
CatalogNumber:
AB71400
ChemicalName:
(R)-3-((tert-Butoxycarbonyl)amino)-4-(3-(trifluoromethyl)phenyl)butanoic acid
CasNumber:
269726-74-1
MolecularFormula:
C16H20F3NO4
MolecularWeight:
347.3295
MdlNumber:
MFCD01860969
Smiles:
OC(=O)C[C@@H](Cc1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C
Complexity:
446
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
3.3
CatalogNumber: __
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Smiles: OC(=O)C[C@@H](Cc1ccncc1)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
OC(=O)C[C@@H](Cc1ccncc1)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(OC(C)(C)C)N[C@H](c1cscc1)C(=O)O
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(OC(C)(C)C)N[C@H](c1cscc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: Fc1ccc(cc1)C[C@]1(CCCN1C(=O)OC(C)(C)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)C[C@]1(CCCN1C(=O)OC(C)(C)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__