AB74276
270596-43-5 | Fmoc-(s)-3-amino-4-(4-chloro-phenyl)-butyric acid
Manufacturer: A2B Chem
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CatalogNumber
AB74276
ChemicalName
Fmoc-(s)-3-amino-4-(4-chloro-phenyl)-butyric acid
CasNumber
270596-43-5
MolecularFormula
C25H22ClNO4
MolecularWeight
435.8995
MdlNumber
MFCD01861002
Smiles
OC(=O)C[C@H](Cc1ccc(cc1)Cl)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity
599
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
8
Xlogp3
5.2
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CatalogNumber: AB74276
ChemicalName: Fmoc-(s)-3-amino-4-(4-chloro-phenyl)-butyric acid
CasNumber: 270596-43-5
MolecularFormula: C25H22ClNO4
MolecularWeight: 435.8995
MdlNumber: MFCD01861002
Smiles: OC(=O)C[C@H](Cc1ccc(cc1)Cl)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 599
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 5.2
CatalogNumber:
AB74276
ChemicalName:
Fmoc-(s)-3-amino-4-(4-chloro-phenyl)-butyric acid
CasNumber:
270596-43-5
MolecularFormula:
C25H22ClNO4
MolecularWeight:
435.8995
MdlNumber:
MFCD01861002
Smiles:
OC(=O)C[C@H](Cc1ccc(cc1)Cl)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
599
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
5.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(NC(C(=O)O)Cc1ccc2c(n1)cccc2)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(NC(C(=O)O)Cc1ccc2c(n1)cccc2)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB74278
ChemicalName: Fmoc-3-aminobenzoic acid
CasNumber: 185116-42-1
MolecularFormula: C22H17NO4
MolecularWeight: 359.3747
MdlNumber: MFCD00235885
Smiles: O=C(Nc1cccc(c1)C(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity: 528
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 4.1
CatalogNumber:
AB74278
ChemicalName:
Fmoc-3-aminobenzoic acid
CasNumber:
185116-42-1
MolecularFormula:
C22H17NO4
MolecularWeight:
359.3747
MdlNumber:
MFCD00235885
Smiles:
O=C(Nc1cccc(c1)C(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity:
528
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)C(F)(F)F)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)C(F)(F)F)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__