AG72067
63649-14-9 | 5-Aminopentanoic acid-benzyl ester p-tosylate
Manufacturer: A2B Chem
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CatalogNumber
AG72067
ChemicalName
5-Aminopentanoic acid-benzyl ester p-tosylate
CasNumber
63649-14-9
MolecularFormula
C19H25NO5S
MolecularWeight
379.4705
MdlNumber
MFCD00237402
Smiles
Cc1ccc(cc1)S(=O)(=O)O.NCCCCC(=O)OCc1ccccc1
Complexity
383
Covalently-bondedUnitCount
2
HeavyAtomCount
26
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
8
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CatalogNumber: AG72067
ChemicalName: 5-Aminopentanoic acid-benzyl ester p-tosylate
CasNumber: 63649-14-9
MolecularFormula: C19H25NO5S
MolecularWeight: 379.4705
MdlNumber: MFCD00237402
Smiles: Cc1ccc(cc1)S(=O)(=O)O.NCCCCC(=O)OCc1ccccc1
Complexity: 383
Covalently-bondedUnitCount: 2
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 8
CatalogNumber:
AG72067
ChemicalName:
5-Aminopentanoic acid-benzyl ester p-tosylate
CasNumber:
63649-14-9
MolecularFormula:
C19H25NO5S
MolecularWeight:
379.4705
MdlNumber:
MFCD00237402
Smiles:
Cc1ccc(cc1)S(=O)(=O)O.NCCCCC(=O)OCc1ccccc1
Complexity:
383
Covalently-bondedUnitCount:
2
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
8
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Smiles: OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)O
Complexity: __
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Smiles:
OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)O
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Smiles: O=C([C@H]1CN[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O
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Smiles:
O=C([C@H]1CN[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O
Complexity:
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Smiles: CC(=O)CC(c1c(=O)oc2c(c1O)ccc(c2)O)c1ccc(cc1)[N+](=O)[O-]
Complexity: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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MolecularFormula:
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Smiles:
CC(=O)CC(c1c(=O)oc2c(c1O)ccc(c2)O)c1ccc(cc1)[N+](=O)[O-]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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