AB47594
273222-06-3 | (2S,4R)-Boc-4-amino-1-fmoc-pyrrolidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB47594
ChemicalName
(2S,4R)-Boc-4-amino-1-fmoc-pyrrolidine-2-carboxylic acid
CasNumber
273222-06-3
MolecularFormula
C25H28N2O6
MolecularWeight
452.4996
MdlNumber
MFCD01860707
Smiles
O=C(OC(C)(C)C)N[C@H]1CN([C@@H](C1)C(=O)O)C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity
728
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
33
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
3.8
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CatalogNumber: AB47594
ChemicalName: (2S,4R)-Boc-4-amino-1-fmoc-pyrrolidine-2-carboxylic acid
CasNumber: 273222-06-3
MolecularFormula: C25H28N2O6
MolecularWeight: 452.4996
MdlNumber: MFCD01860707
Smiles: O=C(OC(C)(C)C)N[C@H]1CN([C@@H](C1)C(=O)O)C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 728
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 3.8
CatalogNumber:
AB47594
ChemicalName:
(2S,4R)-Boc-4-amino-1-fmoc-pyrrolidine-2-carboxylic acid
CasNumber:
273222-06-3
MolecularFormula:
C25H28N2O6
MolecularWeight:
452.4996
MdlNumber:
MFCD01860707
Smiles:
O=C(OC(C)(C)C)N[C@H]1CN([C@@H](C1)C(=O)O)C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
728
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
Complexity: 418
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
Complexity:
418
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: AB47597
ChemicalName: Benzyl stearate
CasNumber: 5531-65-7
MolecularFormula: C25H42O2
MolecularWeight: 374.5998
MdlNumber: MFCD00040014
Smiles: CCCCCCCCCCCCCCCCCC(=O)OCc1ccccc1
Complexity: 320
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 19
Xlogp3: 10
CatalogNumber:
AB47597
ChemicalName:
Benzyl stearate
CasNumber:
5531-65-7
MolecularFormula:
C25H42O2
MolecularWeight:
374.5998
MdlNumber:
MFCD00040014
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCc1ccccc1
Complexity:
320
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
19
Xlogp3:
10