AA44969
129101-54-8 | (2R,3R)-2,3-dihydroxybutanedioic acid 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate
Manufacturer: A2B Chem
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CatalogNumber
AA44969
ChemicalName
(2R,3R)-2,3-dihydroxybutanedioic acid 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate
CasNumber
129101-54-8
MolecularFormula
C18H28N2O8
MolecularWeight
400.4235
MdlNumber
MFCD03700731
Smiles
O[C@H]([C@H](C(=O)O)O)C(=O)O.CCN(C(=O)Oc1cccc(c1)[C@@H](N(C)C)C)C
Complexity
402
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
3
HeavyAtomCount
28
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
4
RotatableBondCount
8
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CatalogNumber: AA44969
ChemicalName: (2R,3R)-2,3-dihydroxybutanedioic acid 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate
CasNumber: 129101-54-8
MolecularFormula: C18H28N2O8
MolecularWeight: 400.4235
MdlNumber: MFCD03700731
Smiles: O[C@H]([C@H](C(=O)O)O)C(=O)O.CCN(C(=O)Oc1cccc(c1)[C@@H](N(C)C)C)C
Complexity: 402
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 4
RotatableBondCount: 8
CatalogNumber:
AA44969
ChemicalName:
(2R,3R)-2,3-dihydroxybutanedioic acid 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate
CasNumber:
129101-54-8
MolecularFormula:
C18H28N2O8
MolecularWeight:
400.4235
MdlNumber:
MFCD03700731
Smiles:
O[C@H]([C@H](C(=O)O)O)C(=O)O.CCN(C(=O)Oc1cccc(c1)[C@@H](N(C)C)C)C
Complexity:
402
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
4
RotatableBondCount:
8
CatalogNumber: AA44971
ChemicalName: (R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
CasNumber: 129101-37-7
MolecularFormula: C10H9FO3
MolecularWeight: 196.1751
MdlNumber: MFCD09955074
Smiles: OC(=O)[C@H]1CCc2c(O1)ccc(c2)F
Complexity: 231
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AA44971
ChemicalName:
(R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
CasNumber:
129101-37-7
MolecularFormula:
C10H9FO3
MolecularWeight:
196.1751
MdlNumber:
MFCD09955074
Smiles:
OC(=O)[C@H]1CCc2c(O1)ccc(c2)F
Complexity:
231
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
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Smiles: OC(=O)[C@@H]1CCc2c(O1)ccc(c2)F
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Smiles:
OC(=O)[C@@H]1CCc2c(O1)ccc(c2)F
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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Smiles: OC(=O)[C@H](Cc1ccc(cc1)F)NC(=O)OC(C)(C)C
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HeavyAtomCount: __
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RotatableBondCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)[C@H](Cc1ccc(cc1)F)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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