AB77875
146987-10-2 | Fmoc-lys(biotin)-oh
Manufacturer: A2B Chem
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CatalogNumber
AB77875
ChemicalName
Fmoc-lys(biotin)-oh
CasNumber
146987-10-2
MolecularFormula
C31H38N4O6S
MolecularWeight
594.7216200000003
MdlNumber
MFCD00270741
Smiles
O=C(NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity
946
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
42
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
5
RotatableBondCount
15
Xlogp3
3.6
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CatalogNumber: AB77875
ChemicalName: Fmoc-lys(biotin)-oh
CasNumber: 146987-10-2
MolecularFormula: C31H38N4O6S
MolecularWeight: 594.7216200000003
MdlNumber: MFCD00270741
Smiles: O=C(NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity: 946
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 42
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 5
RotatableBondCount: 15
Xlogp3: 3.6
CatalogNumber:
AB77875
ChemicalName:
Fmoc-lys(biotin)-oh
CasNumber:
146987-10-2
MolecularFormula:
C31H38N4O6S
MolecularWeight:
594.7216200000003
MdlNumber:
MFCD00270741
Smiles:
O=C(NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity:
946
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
42
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
5
RotatableBondCount:
15
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)O)CCCCNC(=O)c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)O)CCCCNC(=O)c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c2cc(cc1Cc1cc(cc(c1OCC(=O)O)Cc1c(c(Cc3c(c(C2)cc(c3)C(C)(C)C)OCC(=O)O)cc(c1)C(C)(C)C)OC)C(C)(C)C)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c2cc(cc1Cc1cc(cc(c1OCC(=O)O)Cc1c(c(Cc3c(c(C2)cc(c3)C(C)(C)C)OCC(=O)O)cc(c1)C(C)(C)C)OC)C(C)(C)C)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)COc1c2cc(cc1Cc1cc(cc(c1O)Cc1c(c(Cc3c(c(C2)cc(c3)C(C)(C)C)O)cc(c1)C(C)(C)C)OCC(=O)OCC)C(C)(C)C)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)COc1c2cc(cc1Cc1cc(cc(c1O)Cc1c(c(Cc3c(c(C2)cc(c3)C(C)(C)C)O)cc(c1)C(C)(C)C)OCC(=O)OCC)C(C)(C)C)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__