AA22130
1159680-21-3 | Fmoc-L-HomoArg(Pbf)-OH
Manufacturer: A2B Chem
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CatalogNumber
AA22130
ChemicalName
Fmoc-L-HomoArg(Pbf)-OH
CasNumber
1159680-21-3
MolecularFormula
C35H42N4O7S
MolecularWeight
662.7956
MdlNumber
MFCD03093571
Smiles
O=C(N[C@H](C(=O)O)CCCCNC=NNS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C)OCC1c2ccccc2-c2c1cccc2
Complexity
1230
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
47
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
4
RotatableBondCount
13
Xlogp3
5.5
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CatalogNumber: AA22130
ChemicalName: Fmoc-L-HomoArg(Pbf)-OH
CasNumber: 1159680-21-3
MolecularFormula: C35H42N4O7S
MolecularWeight: 662.7956
MdlNumber: MFCD03093571
Smiles: O=C(N[C@H](C(=O)O)CCCCNC=NNS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C)OCC1c2ccccc2-c2c1cccc2
Complexity: 1230
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 47
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 4
RotatableBondCount: 13
Xlogp3: 5.5
CatalogNumber:
AA22130
ChemicalName:
Fmoc-L-HomoArg(Pbf)-OH
CasNumber:
1159680-21-3
MolecularFormula:
C35H42N4O7S
MolecularWeight:
662.7956
MdlNumber:
MFCD03093571
Smiles:
O=C(N[C@H](C(=O)O)CCCCNC=NNS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C)OCC1c2ccccc2-c2c1cccc2
Complexity:
1230
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
47
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
4
RotatableBondCount:
13
Xlogp3:
5.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1OC(NC23CC4CC(C3)(CC(C2)(C4)C)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1OC(NC23CC4CC(C3)(CC(C2)(C4)C)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C/C(=C\C(C(=O)O)N)/CP(=O)(O)O
Complexity: 268
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -4.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C/C(=C\C(C(=O)O)N)/CP(=O)(O)O
Complexity:
268
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC1=C(CCCC1=CC=C1N(CCCCS(=O)(=O)[O-])c2c(C1(C)C)cccc2)C=CC1=[N+](CCCCS(=O)(=O)[O-])c2c(C1(C)C)cccc2.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC1=C(CCCC1=CC=C1N(CCCCS(=O)(=O)[O-])c2c(C1(C)C)cccc2)C=CC1=[N+](CCCCS(=O)(=O)[O-])c2c(C1(C)C)cccc2.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__