AB21209
22951-96-8 | L-2-Thienylalanine
Manufacturer: A2B Chem
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CatalogNumber
AB21209
ChemicalName
L-2-Thienylalanine
CasNumber
22951-96-8
MolecularFormula
C7H9NO2S
MolecularWeight
171.21686
MdlNumber
MFCD00064335
Smiles
OC(=O)[C@H](Cc1cccs1)N
Complexity
151
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-1.7
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CatalogNumber: AB21209
ChemicalName: L-2-Thienylalanine
CasNumber: 22951-96-8
MolecularFormula: C7H9NO2S
MolecularWeight: 171.21686
MdlNumber: MFCD00064335
Smiles: OC(=O)[C@H](Cc1cccs1)N
Complexity: 151
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -1.7
CatalogNumber:
AB21209
ChemicalName:
L-2-Thienylalanine
CasNumber:
22951-96-8
MolecularFormula:
C7H9NO2S
MolecularWeight:
171.21686
MdlNumber:
MFCD00064335
Smiles:
OC(=O)[C@H](Cc1cccs1)N
Complexity:
151
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NN=CN[C@H]1C[C@H]([C@@H]([C@@H]1[C@H](C(CC)CC)NC(=O)C)O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NN=CN[C@H]1C[C@H]([C@@H]([C@@H]1[C@H](C(CC)CC)NC(=O)C)O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NN=CN[C@H]1C[C@H]([C@@H]([C@@H]1[C@@H](C(CC)CC)NC(=O)C)O)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NN=CN[C@H]1C[C@H]([C@@H]([C@@H]1[C@@H](C(CC)CC)NC(=O)C)O)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC([C@@H]([C@@H]1[C@@H](NC(=O)OC(C)(C)C)C[C@H]([C@@H]1O)C(=O)OC)NC(=O)C)CC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC([C@@H]([C@@H]1[C@@H](NC(=O)OC(C)(C)C)C[C@H]([C@@H]1O)C(=O)OC)NC(=O)C)CC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__