AA39019
130304-80-2 | Fmoc-Asp(OcHex)-OH
Manufacturer: A2B Chem
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CatalogNumber
AA39019
ChemicalName
Fmoc-Asp(OcHex)-OH
CasNumber
130304-80-2
MolecularFormula
C25H26NO6
MolecularWeight
436.477
MdlNumber
MFCD00135420
Smiles
[O-]C(=O)C[C@@H](C(=O)OC1CCCCC1)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity
653
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
9
Xlogp3
4.3
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CatalogNumber: AA39019
ChemicalName: Fmoc-Asp(OcHex)-OH
CasNumber: 130304-80-2
MolecularFormula: C25H26NO6
MolecularWeight: 436.477
MdlNumber: MFCD00135420
Smiles: [O-]C(=O)C[C@@H](C(=O)OC1CCCCC1)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 653
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 9
Xlogp3: 4.3
CatalogNumber:
AA39019
ChemicalName:
Fmoc-Asp(OcHex)-OH
CasNumber:
130304-80-2
MolecularFormula:
C25H26NO6
MolecularWeight:
436.477
MdlNumber:
MFCD00135420
Smiles:
[O-]C(=O)C[C@@H](C(=O)OC1CCCCC1)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
653
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
9
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)O[C@H]1C[C@@H](O[C@@H]1COC(=O)C)n1ccc(=O)[nH]c1=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)O[C@H]1C[C@@H](O[C@@H]1COC(=O)C)n1ccc(=O)[nH]c1=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA39028
ChemicalName: H-Glu-obzl
CasNumber: 13030-09-6
MolecularFormula: C12H15NO4
MolecularWeight: 237.2518
MdlNumber: MFCD00037312
Smiles: N[C@H](C(=O)OCc1ccccc1)CCC(=O)O
Complexity: 261
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: -1.7
CatalogNumber:
AA39028
ChemicalName:
H-Glu-obzl
CasNumber:
13030-09-6
MolecularFormula:
C12H15NO4
MolecularWeight:
237.2518
MdlNumber:
MFCD00037312
Smiles:
N[C@H](C(=O)OCc1ccccc1)CCC(=O)O
Complexity:
261
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
-1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]b1ob2ob(ob(o1)o2)[O-].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]b1ob2ob(ob(o1)o2)[O-].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__