AE27248
112245-08-6 | 3-Methyl-d-valine methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AE27248
ChemicalName
3-Methyl-d-valine methyl ester
CasNumber
112245-08-6
MolecularFormula
C7H15NO2
MolecularWeight
145.1995
MdlNumber
MFCD11113176
Smiles
COC(=O)[C@@H](C(C)(C)C)N
Complexity
126
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1
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CatalogNumber: AE27248
ChemicalName: 3-Methyl-d-valine methyl ester
CasNumber: 112245-08-6
MolecularFormula: C7H15NO2
MolecularWeight: 145.1995
MdlNumber: MFCD11113176
Smiles: COC(=O)[C@@H](C(C)(C)C)N
Complexity: 126
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AE27248
ChemicalName:
3-Methyl-d-valine methyl ester
CasNumber:
112245-08-6
MolecularFormula:
C7H15NO2
MolecularWeight:
145.1995
MdlNumber:
MFCD11113176
Smiles:
COC(=O)[C@@H](C(C)(C)C)N
Complexity:
126
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CN(CCNS(=O)(=O)Cc1cccc(c1)N)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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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:
CN(CCNS(=O)(=O)Cc1cccc(c1)N)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: Nc1ccc2c(c1)c(Cl)nnc2Cl
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:
__
MdlNumber:
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Smiles:
Nc1ccc2c(c1)c(Cl)nnc2Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccnc(n1)c1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccnc(n1)c1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__