AB46169
118904-37-3 | Fmoc-D-Allo-Ile-OH
Manufacturer: A2B Chem
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CatalogNumber
AB46169
ChemicalName
Fmoc-D-Allo-Ile-OH
CasNumber
118904-37-3
MolecularFormula
C21H23NO4
MolecularWeight
353.4116
MdlNumber
MFCD00077062
Smiles
CC[C@@H]([C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)C
Complexity
486
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
26
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
4.4
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CatalogNumber: AB46169
ChemicalName: Fmoc-D-Allo-Ile-OH
CasNumber: 118904-37-3
MolecularFormula: C21H23NO4
MolecularWeight: 353.4116
MdlNumber: MFCD00077062
Smiles: CC[C@@H]([C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)C
Complexity: 486
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 4.4
CatalogNumber:
AB46169
ChemicalName:
Fmoc-D-Allo-Ile-OH
CasNumber:
118904-37-3
MolecularFormula:
C21H23NO4
MolecularWeight:
353.4116
MdlNumber:
MFCD00077062
Smiles:
CC[C@@H]([C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)C
Complexity:
486
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
4.4
CatalogNumber: AB46170
ChemicalName: Fmoc-D-Gln-OH
CasNumber: 112898-00-7
MolecularFormula: C20H20N2O5
MolecularWeight: 368.3832
MdlNumber: MFCD00062959
Smiles: NC(=O)CC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 545
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 8
Xlogp3: 1.9
CatalogNumber:
AB46170
ChemicalName:
Fmoc-D-Gln-OH
CasNumber:
112898-00-7
MolecularFormula:
C20H20N2O5
MolecularWeight:
368.3832
MdlNumber:
MFCD00062959
Smiles:
NC(=O)CC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
545
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
8
Xlogp3:
1.9
CatalogNumber: AB46171
ChemicalName: Fmoc-D-Tyr(tBu)-OH
CasNumber: 118488-18-9
MolecularFormula: C28H29NO5
MolecularWeight: 459.5336
MdlNumber: MFCD00065684
Smiles: O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)OC(C)(C)C)OCC1c2ccccc2-c2c1cccc2
Complexity: 673
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 9
Xlogp3: 5.6
CatalogNumber:
AB46171
ChemicalName:
Fmoc-D-Tyr(tBu)-OH
CasNumber:
118488-18-9
MolecularFormula:
C28H29NO5
MolecularWeight:
459.5336
MdlNumber:
MFCD00065684
Smiles:
O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)OC(C)(C)C)OCC1c2ccccc2-c2c1cccc2
Complexity:
673
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
9
Xlogp3:
5.6
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Smiles: O=C(N[C@H](C(=O)O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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Smiles:
O=C(N[C@H](C(=O)O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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