AH88725
89889-51-0 | N-Biotinylcaproylaminocaproic acid
Manufacturer: A2B Chem
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CatalogNumber
AH88725
ChemicalName
N-Biotinylcaproylaminocaproic acid
CasNumber
89889-51-0
MolecularFormula
C22H38N4O5S
MolecularWeight
470.62592000000006
MdlNumber
MFCD06796002
Smiles
O=C(NCCCCCC(=O)NCCCCCC(=O)O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity
633
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
32
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
5
RotatableBondCount
17
Xlogp3
1
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CatalogNumber: AH88725
ChemicalName: N-Biotinylcaproylaminocaproic acid
CasNumber: 89889-51-0
MolecularFormula: C22H38N4O5S
MolecularWeight: 470.62592000000006
MdlNumber: MFCD06796002
Smiles: O=C(NCCCCCC(=O)NCCCCCC(=O)O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity: 633
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 5
RotatableBondCount: 17
Xlogp3: 1
CatalogNumber:
AH88725
ChemicalName:
N-Biotinylcaproylaminocaproic acid
CasNumber:
89889-51-0
MolecularFormula:
C22H38N4O5S
MolecularWeight:
470.62592000000006
MdlNumber:
MFCD06796002
Smiles:
O=C(NCCCCCC(=O)NCCCCCC(=O)O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity:
633
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
5
RotatableBondCount:
17
Xlogp3:
1
CatalogNumber: __
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Smiles: O=C(c1ccc(cc1)Br)c1ccc(cc1)CN1CCC2(CC1)OCCO2
Complexity: __
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Smiles:
O=C(c1ccc(cc1)Br)c1ccc(cc1)CN1CCC2(CC1)OCCO2
Complexity:
__
Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C1OC2C3C1CC(C2I)O3
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C1OC2C3C1CC(C2I)O3
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COC(=O)c1ccc(s1)C(=O)c1cccnc1OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)c1ccc(s1)C(=O)c1cccnc1OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__