AB25730
247127-51-1 | Fmoc-dap(dde)-oh
Manufacturer: A2B Chem
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CatalogNumber
AB25730
ChemicalName
Fmoc-dap(dde)-oh
CasNumber
247127-51-1
MolecularFormula
C28H30N2O6
MolecularWeight
490.5476
MdlNumber
MFCD01631974
Smiles
O=C(N[C@H](C(=O)O)CNC(=C1C(=O)CC(CC1=O)(C)C)C)OCC1c2ccccc2-c2c1cccc2
Complexity
916
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
8
Xlogp3
3.6
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CatalogNumber: AB25730
ChemicalName: Fmoc-dap(dde)-oh
CasNumber: 247127-51-1
MolecularFormula: C28H30N2O6
MolecularWeight: 490.5476
MdlNumber: MFCD01631974
Smiles: O=C(N[C@H](C(=O)O)CNC(=C1C(=O)CC(CC1=O)(C)C)C)OCC1c2ccccc2-c2c1cccc2
Complexity: 916
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 8
Xlogp3: 3.6
CatalogNumber:
AB25730
ChemicalName:
Fmoc-dap(dde)-oh
CasNumber:
247127-51-1
MolecularFormula:
C28H30N2O6
MolecularWeight:
490.5476
MdlNumber:
MFCD01631974
Smiles:
O=C(N[C@H](C(=O)O)CNC(=C1C(=O)CC(CC1=O)(C)C)C)OCC1c2ccccc2-c2c1cccc2
Complexity:
916
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
8
Xlogp3:
3.6
CatalogNumber: __
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Smiles: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C6=C(C=C(C=C6C(C)C)C(C)C)C(C)C)O)C(C)C
Complexity: __
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Smiles:
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C6=C(C=C(C=C6C(C)C)C(C)C)C(C)C)O)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: N#Cc1cccc(c1)N1CCN(CC1)Cc1ccccc1
Complexity: __
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Smiles:
N#Cc1cccc(c1)N1CCN(CC1)Cc1ccccc1
Complexity:
__
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: N[C@H]1CCCC[C@@H]1C(=O)O
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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__
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Smiles:
N[C@H]1CCCC[C@@H]1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__