AB05172
204138-23-8 | Boc-Ile-OH 1/2H2O
Manufacturer: A2B Chem
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CatalogNumber
AB05172
ChemicalName
Boc-Ile-OH 1/2H2O
CasNumber
204138-23-8
MolecularFormula
C22H44N2O9
MolecularWeight
480.5928
MdlNumber
MFCD00672705
Smiles
CC[C@@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)C.CC[C@@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)C.O
Complexity
257
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
4
HeavyAtomCount
33
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
5
RotatableBondCount
12
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CatalogNumber: AB05172
ChemicalName: Boc-Ile-OH 1/2H2O
CasNumber: 204138-23-8
MolecularFormula: C22H44N2O9
MolecularWeight: 480.5928
MdlNumber: MFCD00672705
Smiles: CC[C@@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)C.CC[C@@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)C.O
Complexity: 257
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 5
RotatableBondCount: 12
CatalogNumber:
AB05172
ChemicalName:
Boc-Ile-OH 1/2H2O
CasNumber:
204138-23-8
MolecularFormula:
C22H44N2O9
MolecularWeight:
480.5928
MdlNumber:
MFCD00672705
Smiles:
CC[C@@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)C.CC[C@@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)C.O
Complexity:
257
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
5
RotatableBondCount:
12
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]c(=O)c2c([nH]1)c(Br)c[nH]2
Complexity: __
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DefinedAtomStereocenterCount: __
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RotatableBondCount: __
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Smiles:
O=c1[nH]c(=O)c2c([nH]1)c(Br)c[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: OC(=O)c1[nH]c2c(c1Br)[nH]c(=O)[nH]c2=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)c1[nH]c2c(c1Br)[nH]c(=O)[nH]c2=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: CCOc1nc(OCC)c2c(n1)c(Br)c([nH]2)C(=O)OCC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1nc(OCC)c2c(n1)c(Br)c([nH]2)C(=O)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__