AB08565
199119-46-5 | H-D-His(Trt)-OH
Manufacturer: A2B Chem
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CatalogNumber
AB08565
ChemicalName
H-D-His(Trt)-OH
CasNumber
199119-46-5
MolecularFormula
C25H23N3O2
MolecularWeight
397.469
MdlNumber
MFCD00237099
Smiles
OC(=O)[C@@H](Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)N
Complexity
505
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
1.5
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CatalogNumber: AB08565
ChemicalName: H-D-His(Trt)-OH
CasNumber: 199119-46-5
MolecularFormula: C25H23N3O2
MolecularWeight: 397.469
MdlNumber: MFCD00237099
Smiles: OC(=O)[C@@H](Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)N
Complexity: 505
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 1.5
CatalogNumber:
AB08565
ChemicalName:
H-D-His(Trt)-OH
CasNumber:
199119-46-5
MolecularFormula:
C25H23N3O2
MolecularWeight:
397.469
MdlNumber:
MFCD00237099
Smiles:
OC(=O)[C@@H](Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)N
Complexity:
505
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCOC(=O)N1CCC(CC1)OS(=O)(=O)C
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
CCOC(=O)N1CCC(CC1)OS(=O)(=O)C
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: OC1CCN(CC1)c1ccccn1
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC1CCN(CC1)c1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=Cc1cccc[n+]1C.[I-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=Cc1cccc[n+]1C.[I-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__