AA10733
113400-36-5 | Boc-l-pyroglutamic acid benzyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA10733
ChemicalName
Boc-l-pyroglutamic acid benzyl ester
CasNumber
113400-36-5
MolecularFormula
C17H21NO5
MolecularWeight
319.3523
MdlNumber
MFCD04115781
Smiles
O=C([C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)OCc1ccccc1
Complexity
462
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
RotatableBondCount
6
Xlogp3
2.4
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CatalogNumber: AA10733
ChemicalName: Boc-l-pyroglutamic acid benzyl ester
CasNumber: 113400-36-5
MolecularFormula: C17H21NO5
MolecularWeight: 319.3523
MdlNumber: MFCD04115781
Smiles: O=C([C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)OCc1ccccc1
Complexity: 462
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
Xlogp3: 2.4
CatalogNumber:
AA10733
ChemicalName:
Boc-l-pyroglutamic acid benzyl ester
CasNumber:
113400-36-5
MolecularFormula:
C17H21NO5
MolecularWeight:
319.3523
MdlNumber:
MFCD04115781
Smiles:
O=C([C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
462
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc([nH]n1)c1ccccc1
Complexity: 214
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cc([nH]n1)c1ccccc1
Complexity:
214
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccccc1Sc1ccccc1
Complexity: 166
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccccc1Sc1ccccc1
Complexity:
166
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nn(c(c1)N)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nn(c(c1)N)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__