AA12545
1138323-75-7 | (R)-2-((((Benzyloxy)carbonyl)amino)methyl)-3-methylbutanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA12545
ChemicalName
(R)-2-((((Benzyloxy)carbonyl)amino)methyl)-3-methylbutanoic acid
CasNumber
1138323-75-7
MolecularFormula
C14H19NO4
MolecularWeight
265.305
MdlNumber
MFCD18433300
Smiles
CC([C@@H](C(=O)O)CNC(=O)OCc1ccccc1)C
Complexity
298
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
2.3
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CatalogNumber: AA12545
ChemicalName: (R)-2-((((Benzyloxy)carbonyl)amino)methyl)-3-methylbutanoic acid
CasNumber: 1138323-75-7
MolecularFormula: C14H19NO4
MolecularWeight: 265.305
MdlNumber: MFCD18433300
Smiles: CC([C@@H](C(=O)O)CNC(=O)OCc1ccccc1)C
Complexity: 298
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 2.3
CatalogNumber:
AA12545
ChemicalName:
(R)-2-((((Benzyloxy)carbonyl)amino)methyl)-3-methylbutanoic acid
CasNumber:
1138323-75-7
MolecularFormula:
C14H19NO4
MolecularWeight:
265.305
MdlNumber:
MFCD18433300
Smiles:
CC([C@@H](C(=O)O)CNC(=O)OCc1ccccc1)C
Complexity:
298
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
2.3
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Smiles: [O-]C(=O)OC.CC[N+](CC)(CC)C
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[O-]C(=O)OC.CC[N+](CC)(CC)C
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Smiles: O=C1OC(=O)c2c1cc(cc2)c1cccc(c1)c1ccc2c(c1)C(=O)OC2=O
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Smiles:
O=C1OC(=O)c2c1cc(cc2)c1cccc(c1)c1ccc2c(c1)C(=O)OC2=O
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__
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Smiles: COc1cncc(c1I)CNC(=O)OC(C)(C)C
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cncc(c1I)CNC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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