AA46283
131896-42-9 | D-4-Thiazolylalanine
Manufacturer: A2B Chem
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CatalogNumber
AA46283
ChemicalName
D-4-Thiazolylalanine
CasNumber
131896-42-9
MolecularFormula
C6H8N2O2S
MolecularWeight
172.2049
MdlNumber
MFCD00079674
Smiles
N[C@@H](C(=O)O)Cc1cscn1
Complexity
154
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-2.3
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CatalogNumber: AA46283
ChemicalName: D-4-Thiazolylalanine
CasNumber: 131896-42-9
MolecularFormula: C6H8N2O2S
MolecularWeight: 172.2049
MdlNumber: MFCD00079674
Smiles: N[C@@H](C(=O)O)Cc1cscn1
Complexity: 154
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -2.3
CatalogNumber:
AA46283
ChemicalName:
D-4-Thiazolylalanine
CasNumber:
131896-42-9
MolecularFormula:
C6H8N2O2S
MolecularWeight:
172.2049
MdlNumber:
MFCD00079674
Smiles:
N[C@@H](C(=O)O)Cc1cscn1
Complexity:
154
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-2.3
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Smiles: CCCCCCCc1ccc(cc1)I
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Smiles:
CCCCCCCc1ccc(cc1)I
Complexity:
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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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Smiles: O=C(C1CSC(N1)c1cccnc1)N1CCN(CC1)CCC(c1ccccc1)(C)C.OC(=O)/C=C/C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
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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Smiles:
O=C(C1CSC(N1)c1cccnc1)N1CCN(CC1)CCC(c1ccccc1)(C)C.OC(=O)/C=C/C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__