AD79737
104010-37-9 | sodium (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(furan-2-yl)carbonylsulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD79737
ChemicalName
sodium (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(furan-2-yl)carbonylsulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CasNumber
104010-37-9
MolecularFormula
C19H16N5NaO7S3
MolecularWeight
545.5444099999999
MdlNumber
MFCD01766184
Smiles
CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSC(=O)c1ccco1.[Na+]
Complexity
952
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
13
HydrogenBondDonorCount
2
RotatableBondCount
9
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CatalogNumber: AD79737
ChemicalName: sodium (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(furan-2-yl)carbonylsulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CasNumber: 104010-37-9
MolecularFormula: C19H16N5NaO7S3
MolecularWeight: 545.5444099999999
MdlNumber: MFCD01766184
Smiles: CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSC(=O)c1ccco1.[Na+]
Complexity: 952
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 13
HydrogenBondDonorCount: 2
RotatableBondCount: 9
CatalogNumber:
AD79737
ChemicalName:
sodium (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(furan-2-yl)carbonylsulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CasNumber:
104010-37-9
MolecularFormula:
C19H16N5NaO7S3
MolecularWeight:
545.5444099999999
MdlNumber:
MFCD01766184
Smiles:
CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSC(=O)c1ccco1.[Na+]
Complexity:
952
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
13
HydrogenBondDonorCount:
2
RotatableBondCount:
9
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Smiles: Clc1cc(N)c(c(c1)C(F)(F)F)Cl
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Smiles:
Clc1cc(N)c(c(c1)C(F)(F)F)Cl
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Smiles: Nc1ccc(c(c1)F)Oc1cccc(c1)Br
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Smiles:
Nc1ccc(c(c1)F)Oc1cccc(c1)Br
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Smiles: C#Cc1cccc2c1nccc2
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Smiles:
C#Cc1cccc2c1nccc2
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__
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__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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