AE12634
106247-35-2 | H-Beta-tBu-DL-Ala-OH
Manufacturer: A2B Chem
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CatalogNumber
AE12634
ChemicalName
H-Beta-tBu-DL-Ala-OH
CasNumber
106247-35-2
MolecularFormula
C10H13NO4
MolecularWeight
211.2145
MdlNumber
MFCD00066078
Smiles
COc1ccc(c(c1)C(C(=O)O)N)OC
NscNumber
522507
Complexity
126
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-1.3
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CatalogNumber: AE12634
ChemicalName: H-Beta-tBu-DL-Ala-OH
CasNumber: 106247-35-2
MolecularFormula: C10H13NO4
MolecularWeight: 211.2145
MdlNumber: MFCD00066078
Smiles: COc1ccc(c(c1)C(C(=O)O)N)OC
NscNumber: 522507
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -1.3
CatalogNumber:
AE12634
ChemicalName:
H-Beta-tBu-DL-Ala-OH
CasNumber:
106247-35-2
MolecularFormula:
C10H13NO4
MolecularWeight:
211.2145
MdlNumber:
MFCD00066078
Smiles:
COc1ccc(c(c1)C(C(=O)O)N)OC
NscNumber:
522507
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-1.3
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Smiles: O=C1NC(=O)C(S1)Cc1ccc2c(c1)CCC(O2)Cc1ccccc1
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Complexity: __
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Smiles:
O=C1NC(=O)C(S1)Cc1ccc2c(c1)CCC(O2)Cc1ccccc1
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Complexity:
__
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UndefinedAtomStereocenterCount:
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__
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Smiles: COC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C=CC(=O)N2
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Smiles:
COC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C=CC(=O)N2
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: C[C@H](/C(=N/O)/C)NCC(CN[C@@H](/C(=N/O)/C)C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H](/C(=N/O)/C)NCC(CN[C@@H](/C(=N/O)/C)C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__