AA56108
122555-91-3 | Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate
Manufacturer: A2B Chem
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CatalogNumber
AA56108
ChemicalName
Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate
CasNumber
122555-91-3
MolecularFormula
C26H50N4O6
MolecularWeight
514.6984
MdlNumber
MFCD05865261
Smiles
O=C(OC(C)(C)C)CN1CCN(CCNCCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity
665
Covalently-bondedUnitCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
1
RotatableBondCount
12
Xlogp3
2.4
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CatalogNumber: AA56108
ChemicalName: Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate
CasNumber: 122555-91-3
MolecularFormula: C26H50N4O6
MolecularWeight: 514.6984
MdlNumber: MFCD05865261
Smiles: O=C(OC(C)(C)C)CN1CCN(CCNCCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity: 665
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 12
Xlogp3: 2.4
CatalogNumber:
AA56108
ChemicalName:
Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate
CasNumber:
122555-91-3
MolecularFormula:
C26H50N4O6
MolecularWeight:
514.6984
MdlNumber:
MFCD05865261
Smiles:
O=C(OC(C)(C)C)CN1CCN(CCNCCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity:
665
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
12
Xlogp3:
2.4
CatalogNumber: AA56109
ChemicalName: L-4-Acetylphenylalanine
CasNumber: 122555-04-8
MolecularFormula: C11H13NO3
MolecularWeight: 207.2258
MdlNumber: MFCD06659983
Smiles: N[C@H](C(=O)O)Cc1ccc(cc1)C(=O)C
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: -1.4
CatalogNumber:
AA56109
ChemicalName:
L-4-Acetylphenylalanine
CasNumber:
122555-04-8
MolecularFormula:
C11H13NO3
MolecularWeight:
207.2258
MdlNumber:
MFCD06659983
Smiles:
N[C@H](C(=O)O)Cc1ccc(cc1)C(=O)C
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
-1.4
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Smiles: N[C@H](C(=O)O)Cc1ccc(c(c1)O)OC(=O)C(C)(C)C
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N[C@H](C(=O)O)Cc1ccc(c(c1)O)OC(=O)C(C)(C)C
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Smiles: COC(=O)C(=Cc1ccc(cc1)F)C(=O)C(C)C
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Smiles:
COC(=O)C(=Cc1ccc(cc1)F)C(=O)C(C)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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