AD74147
120709-09-3 | (6R,7R)-7-Amino-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD74147
ChemicalName
(6R,7R)-7-Amino-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CasNumber
120709-09-3
MolecularFormula
C10H12N2O3S
MolecularWeight
240.2789
MdlNumber
MFCD08458212
Smiles
C/C=C/C1=C(N2[C@H](SC1)[C@@H](C2=O)N)C(=O)O
Complexity
416
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-2.5
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CatalogNumber: AD74147
ChemicalName: (6R,7R)-7-Amino-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CasNumber: 120709-09-3
MolecularFormula: C10H12N2O3S
MolecularWeight: 240.2789
MdlNumber: MFCD08458212
Smiles: C/C=C/C1=C(N2[C@H](SC1)[C@@H](C2=O)N)C(=O)O
Complexity: 416
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -2.5
CatalogNumber:
AD74147
ChemicalName:
(6R,7R)-7-Amino-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CasNumber:
120709-09-3
MolecularFormula:
C10H12N2O3S
MolecularWeight:
240.2789
MdlNumber:
MFCD08458212
Smiles:
C/C=C/C1=C(N2[C@H](SC1)[C@@H](C2=O)N)C(=O)O
Complexity:
416
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-2.5
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Smiles: C=CCOC(=O)C1=C(S[C@H]2N1C(=O)[C@@H]2[C@H](O[Si](C(C)(C)C)(C)C)C)[C@H]1CCCO1
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Smiles:
C=CCOC(=O)C1=C(S[C@H]2N1C(=O)[C@@H]2[C@H](O[Si](C(C)(C)C)(C)C)C)[C@H]1CCCO1
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Smiles: [Ta].[Ta].C
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Smiles:
[Ta].[Ta].C
Complexity:
__
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__
HeavyAtomCount:
__
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Smiles: COC(=O)c1cc2[nH]nc(c2cn1)Br
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__
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__
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Smiles:
COC(=O)c1cc2[nH]nc(c2cn1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__