AA71079
144143-96-4 | 4-({2-butyl-5-[(1E)-2-carboxy-2-(thiophen-2-ylmethyl)eth-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid; methanesulfonic acid
Manufacturer: A2B Chem
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CatalogNumber
AA71079
ChemicalName
4-({2-butyl-5-[(1E)-2-carboxy-2-(thiophen-2-ylmethyl)eth-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid; methanesulfonic acid
CasNumber
144143-96-4
MolecularFormula
C24H28N2O7S2
MolecularWeight
520.6183
MdlNumber
MFCD08141807
Smiles
CS(=O)(=O)O.CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)Cc1cccs1
Complexity
711
Covalently-bondedUnitCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
3
RotatableBondCount
10
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CatalogNumber: AA71079
ChemicalName: 4-({2-butyl-5-[(1E)-2-carboxy-2-(thiophen-2-ylmethyl)eth-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid; methanesulfonic acid
CasNumber: 144143-96-4
MolecularFormula: C24H28N2O7S2
MolecularWeight: 520.6183
MdlNumber: MFCD08141807
Smiles: CS(=O)(=O)O.CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)Cc1cccs1
Complexity: 711
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 3
RotatableBondCount: 10
CatalogNumber:
AA71079
ChemicalName:
4-({2-butyl-5-[(1E)-2-carboxy-2-(thiophen-2-ylmethyl)eth-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid; methanesulfonic acid
CasNumber:
144143-96-4
MolecularFormula:
C24H28N2O7S2
MolecularWeight:
520.6183
MdlNumber:
MFCD08141807
Smiles:
CS(=O)(=O)O.CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)Cc1cccs1
Complexity:
711
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
3
RotatableBondCount:
10
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C[C@@H]([C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccn1)Cc1ccccc1)O)Cc1ccccc1)OCc1cccnc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(N[C@H](C[C@@H]([C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccn1)Cc1ccccc1)O)Cc1ccccc1)OCc1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AA71086
ChemicalName: 6-Amino-2H-chromen-2-one
CasNumber: 14415-44-2
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD00115435
Smiles: Nc1ccc2c(c1)ccc(=O)o2
Complexity: 225
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
CatalogNumber:
AA71086
ChemicalName:
6-Amino-2H-chromen-2-one
CasNumber:
14415-44-2
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD00115435
Smiles:
Nc1ccc2c(c1)ccc(=O)o2
Complexity:
225
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Sr+2].[Sr+2].[Sr+2]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Sr+2].[Sr+2].[Sr+2]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__