AA71063
144120-53-6 | Fmoc-Asp-OAll
Manufacturer: A2B Chem
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CatalogNumber
AA71063
ChemicalName
Fmoc-Asp-OAll
CasNumber
144120-53-6
MolecularFormula
C22H21NO6
MolecularWeight
395.4052
MdlNumber
MFCD00467715
Smiles
C=CCOC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)CC(=O)O
Complexity
598
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
10
Xlogp3
3.2
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CatalogNumber: AA71063
ChemicalName: Fmoc-Asp-OAll
CasNumber: 144120-53-6
MolecularFormula: C22H21NO6
MolecularWeight: 395.4052
MdlNumber: MFCD00467715
Smiles: C=CCOC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)CC(=O)O
Complexity: 598
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 10
Xlogp3: 3.2
CatalogNumber:
AA71063
ChemicalName:
Fmoc-Asp-OAll
CasNumber:
144120-53-6
MolecularFormula:
C22H21NO6
MolecularWeight:
395.4052
MdlNumber:
MFCD00467715
Smiles:
C=CCOC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)CC(=O)O
Complexity:
598
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
10
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccnc2c1c(F)ccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccnc2c1c(F)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA71079
ChemicalName: 4-({2-butyl-5-[(1E)-2-carboxy-2-(thiophen-2-ylmethyl)eth-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid; methanesulfonic acid
CasNumber: 144143-96-4
MolecularFormula: C24H28N2O7S2
MolecularWeight: 520.6183
MdlNumber: MFCD08141807
Smiles: CS(=O)(=O)O.CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)Cc1cccs1
Complexity: 711
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: __
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 3
RotatableBondCount: 10
Xlogp3: __
CatalogNumber:
AA71079
ChemicalName:
4-({2-butyl-5-[(1E)-2-carboxy-2-(thiophen-2-ylmethyl)eth-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid; methanesulfonic acid
CasNumber:
144143-96-4
MolecularFormula:
C24H28N2O7S2
MolecularWeight:
520.6183
MdlNumber:
MFCD08141807
Smiles:
CS(=O)(=O)O.CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)Cc1cccs1
Complexity:
711
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
3
RotatableBondCount:
10
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C[C@@H]([C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccn1)Cc1ccccc1)O)Cc1ccccc1)OCc1cccnc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C[C@@H]([C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccn1)Cc1ccccc1)O)Cc1ccccc1)OCc1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__