AB74752
74431-23-5 | (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2-methanimidamidoethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
Manufacturer: A2B Chem
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CatalogNumber
AB74752
ChemicalName
(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2-methanimidamidoethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
CasNumber
74431-23-5
MolecularFormula
C12H19N3O5S
MolecularWeight
317.36136
MdlNumber
MFCD09753321
Smiles
C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N)O.O
Complexity
491
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
3
HeavyAtomCount
21
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
4
RotatableBondCount
6
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CatalogNumber: AB74752
ChemicalName: (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2-methanimidamidoethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
CasNumber: 74431-23-5
MolecularFormula: C12H19N3O5S
MolecularWeight: 317.36136
MdlNumber: MFCD09753321
Smiles: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N)O.O
Complexity: 491
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 4
RotatableBondCount: 6
CatalogNumber:
AB74752
ChemicalName:
(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2-methanimidamidoethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
CasNumber:
74431-23-5
MolecularFormula:
C12H19N3O5S
MolecularWeight:
317.36136
MdlNumber:
MFCD09753321
Smiles:
C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N)O.O
Complexity:
491
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
4
RotatableBondCount:
6
CatalogNumber: AB74753
ChemicalName: 1,3-Dihydroindene-2,2-dicarboxylic acid
CasNumber: 2437-08-3
MolecularFormula: C11H10O4
MolecularWeight: 206.1947
MdlNumber: MFCD00085096
Smiles: OC(=O)C1(Cc2c(C1)cccc2)C(=O)O
Complexity: 267
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AB74753
ChemicalName:
1,3-Dihydroindene-2,2-dicarboxylic acid
CasNumber:
2437-08-3
MolecularFormula:
C11H10O4
MolecularWeight:
206.1947
MdlNumber:
MFCD00085096
Smiles:
OC(=O)C1(Cc2c(C1)cccc2)C(=O)O
Complexity:
267
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB74755
ChemicalName: Indazole
CasNumber: 271-44-3
MolecularFormula: C7H6N2
MolecularWeight: 118.13594000000002
MdlNumber: MFCD00005691
Smiles: c1ccc2c(c1)[nH]nc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AB74755
ChemicalName:
Indazole
CasNumber:
271-44-3
MolecularFormula:
C7H6N2
MolecularWeight:
118.13594000000002
MdlNumber:
MFCD00005691
Smiles:
c1ccc2c(c1)[nH]nc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__