AA45371
129460-09-9 | Fmoc-Asp-OtBu
Manufacturer: A2B Chem
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CatalogNumber
AA45371
ChemicalName
Fmoc-Asp-OtBu
CasNumber
129460-09-9
MolecularFormula
C23H25NO6
MolecularWeight
411.4477
MdlNumber
MFCD00065631
Smiles
OC(=O)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity
620
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
9
Xlogp3
3.5
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CatalogNumber: AA45371
ChemicalName: Fmoc-Asp-OtBu
CasNumber: 129460-09-9
MolecularFormula: C23H25NO6
MolecularWeight: 411.4477
MdlNumber: MFCD00065631
Smiles: OC(=O)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 620
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 9
Xlogp3: 3.5
CatalogNumber:
AA45371
ChemicalName:
Fmoc-Asp-OtBu
CasNumber:
129460-09-9
MolecularFormula:
C23H25NO6
MolecularWeight:
411.4477
MdlNumber:
MFCD00065631
Smiles:
OC(=O)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
620
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
9
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[Si](O[Si](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C)(C)C)F
Complexity: __
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DefinedAtomStereocenterCount: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[Si](O[Si](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C)(C)C)F
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COC(=O)CCC1=C(C)C2=NC1=Cc1[nH]c(c(c1CCC(=O)O)C)/C=C/1N=C(/C=c/3[nH]c(=C2)c(C=C)c3C)C2=CC=C([C@H]([C@@]12C)C(=O)OC)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=O)CCC1=C(C)C2=NC1=Cc1[nH]c(c(c1CCC(=O)O)C)/C=C/1N=C(/C=c/3[nH]c(=C2)c(C=C)c3C)C2=CC=C([C@H]([C@@]12C)C(=O)OC)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O/N=C\1/C(=C[C@@H]2[C@]3([C@@H]1OC/C/3=C\C=C\[C@H](C)C/C(=C/C[C@@H]1C[C@H](OC2=O)C[C@@]2(O1)CC[C@@H]([C@H](O2)C)C)/C)O)C.O/N=C\1/C(=C[C@@H]2[C@]3([C@@H]1OC/C/3=C\C=C\[C@H](C)C/C(=C/C[C@@H]1C[C@H](OC2=O)C[C@@]2(O1)CC[C@@H]([C@H](O2)C)C)/C)O)C.CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@H](O2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/[C@]3([C@H](C(=O)O1)C=C(C)/C(=N/O)/[C@H]3OC2)O.CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@H](O2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/[C@]3([C@H](C(=O)O1)C=C(C)/C(=N/O)/[C@H]3OC2)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O/N=C\1/C(=C[C@@H]2[C@]3([C@@H]1OC/C/3=C\C=C\[C@H](C)C/C(=C/C[C@@H]1C[C@H](OC2=O)C[C@@]2(O1)CC[C@@H]([C@H](O2)C)C)/C)O)C.O/N=C\1/C(=C[C@@H]2[C@]3([C@@H]1OC/C/3=C\C=C\[C@H](C)C/C(=C/C[C@@H]1C[C@H](OC2=O)C[C@@]2(O1)CC[C@@H]([C@H](O2)C)C)/C)O)C.CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@H](O2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/[C@]3([C@H](C(=O)O1)C=C(C)/C(=N/O)/[C@H]3OC2)O.CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@H](O2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/[C@]3([C@H](C(=O)O1)C=C(C)/C(=N/O)/[C@H]3OC2)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__