AW55131
153773-82-1 | Ertapenem sodium
Manufacturer: A2B Chem
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CatalogNumber
AW55131
ChemicalName
Ertapenem sodium
CasNumber
153773-82-1
MolecularFormula
C22H24N3NaO7S
MolecularWeight
497.4966
MdlNumber
MFCD09475566
Smiles
O=C([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)Nc1cccc(c1)C(=O)[O-].[Na+]
Complexity
900
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
6
HeavyAtomCount
34
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
4
RotatableBondCount
7
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CatalogNumber: AW55131
ChemicalName: Ertapenem sodium
CasNumber: 153773-82-1
MolecularFormula: C22H24N3NaO7S
MolecularWeight: 497.4966
MdlNumber: MFCD09475566
Smiles: O=C([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)Nc1cccc(c1)C(=O)[O-].[Na+]
Complexity: 900
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 6
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 4
RotatableBondCount: 7
CatalogNumber:
AW55131
ChemicalName:
Ertapenem sodium
CasNumber:
153773-82-1
MolecularFormula:
C22H24N3NaO7S
MolecularWeight:
497.4966
MdlNumber:
MFCD09475566
Smiles:
O=C([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)Nc1cccc(c1)C(=O)[O-].[Na+]
Complexity:
900
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
6
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
4
RotatableBondCount:
7
CatalogNumber: __
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Smiles: CC(C(=O)O)Oc1c([2H])c([2H])c(c(c1C)[2H])Cl
Complexity: __
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Smiles:
CC(C(=O)O)Oc1c([2H])c([2H])c(c(c1C)[2H])Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CC(NC(C(C(Oc1ccc(cc1)COCCOC(C)C)([2H])[2H])(O)[2H])([2H])[2H])C
Complexity: __
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__
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC(NC(C(C(Oc1ccc(cc1)COCCOC(C)C)([2H])[2H])(O)[2H])([2H])[2H])C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)C)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C([2H])([2H])[2H])C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)C)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C([2H])([2H])[2H])C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__