AA34209
1201902-80-8 | 4-(Carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA34209
ChemicalName
4-(Carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
CasNumber
1201902-80-8
MolecularFormula
C20H23BCl2N2O9
MolecularWeight
517.1216
MdlNumber
MFCD18251437
Smiles
CC(C[C@@H](B1OC(=O)CC(O1)(CC(=O)O)C(=O)O)NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)C
Complexity
815
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
34
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
4
RotatableBondCount
10
UndefinedAtomStereocenterCount
1
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CatalogNumber: AA34209
ChemicalName: 4-(Carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
CasNumber: 1201902-80-8
MolecularFormula: C20H23BCl2N2O9
MolecularWeight: 517.1216
MdlNumber: MFCD18251437
Smiles: CC(C[C@@H](B1OC(=O)CC(O1)(CC(=O)O)C(=O)O)NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)C
Complexity: 815
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 4
RotatableBondCount: 10
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AA34209
ChemicalName:
4-(Carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
CasNumber:
1201902-80-8
MolecularFormula:
C20H23BCl2N2O9
MolecularWeight:
517.1216
MdlNumber:
MFCD18251437
Smiles:
CC(C[C@@H](B1OC(=O)CC(O1)(CC(=O)O)C(=O)O)NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)C
Complexity:
815
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
4
RotatableBondCount:
10
UndefinedAtomStereocenterCount:
1
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Smiles: O[C@@H]1CCC[C@@](C1=O)(N)c1ccccc1Cl
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Smiles:
O[C@@H]1CCC[C@@](C1=O)(N)c1ccccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
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__
HeavyAtomCount:
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Smiles: NC(=O)C=Cc1ccc(c(c1)O)O
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Smiles:
NC(=O)C=Cc1ccc(c(c1)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
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Smiles: OC(=O)C=Cc1ccc(c(c1)Cl)Cl
Complexity: 216
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C=Cc1ccc(c(c1)Cl)Cl
Complexity:
216
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__