AA40950
13122-90-2 | Boc-phe-phe-oh
Manufacturer: A2B Chem
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CatalogNumber
AA40950
ChemicalName
Boc-phe-phe-oh
CasNumber
13122-90-2
MolecularFormula
C23H28N2O5
MolecularWeight
412.4788
MdlNumber
MFCD00190824
Smiles
O=C(OC(C)(C)C)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1
Complexity
575
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
30
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
10
Xlogp3
3.1
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CatalogNumber: AA40950
ChemicalName: Boc-phe-phe-oh
CasNumber: 13122-90-2
MolecularFormula: C23H28N2O5
MolecularWeight: 412.4788
MdlNumber: MFCD00190824
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1
Complexity: 575
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 10
Xlogp3: 3.1
CatalogNumber:
AA40950
ChemicalName:
Boc-phe-phe-oh
CasNumber:
13122-90-2
MolecularFormula:
C23H28N2O5
MolecularWeight:
412.4788
MdlNumber:
MFCD00190824
Smiles:
O=C(OC(C)(C)C)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1
Complexity:
575
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
10
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCc1ccncc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCc1ccncc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA40955
ChemicalName: 1-Methyl-1H-pyrazolo[3,4-b]pyridine-5-boronic acid pinacol ester
CasNumber: 1312312-78-9
MolecularFormula: C13H18BN3O2
MolecularWeight: 259.1119
MdlNumber: MFCD16995953
Smiles: Cn1ncc2c1ncc(c2)B1OC(C(O1)(C)C)(C)C
Complexity: 348
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AA40955
ChemicalName:
1-Methyl-1H-pyrazolo[3,4-b]pyridine-5-boronic acid pinacol ester
CasNumber:
1312312-78-9
MolecularFormula:
C13H18BN3O2
MolecularWeight:
259.1119
MdlNumber:
MFCD16995953
Smiles:
Cn1ncc2c1ncc(c2)B1OC(C(O1)(C)C)(C)C
Complexity:
348
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [N-]=[N+]=NCCOCCOCCC(=O)ON1C(=O)CCC1=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[N-]=[N+]=NCCOCCOCCC(=O)ON1C(=O)CCC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__