AE39213
134-05-4 | 2-(4-(((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzamido)-4-formylpentanedioic acid
Manufacturer: A2B Chem
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CatalogNumber
AE39213
ChemicalName
2-(4-(((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzamido)-4-formylpentanedioic acid
CasNumber
134-05-4
MolecularFormula
C20H19N7O7
MolecularWeight
469.4076
MdlNumber
MFCD22666228
Smiles
O=CN(c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1c[nH]c2-c(n1)c(=O)nc(n2)N
Complexity
843
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
34
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
5
RotatableBondCount
9
Xlogp3
-1.7
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CatalogNumber: AE39213
ChemicalName: 2-(4-(((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzamido)-4-formylpentanedioic acid
CasNumber: 134-05-4
MolecularFormula: C20H19N7O7
MolecularWeight: 469.4076
MdlNumber: MFCD22666228
Smiles: O=CN(c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1c[nH]c2-c(n1)c(=O)nc(n2)N
Complexity: 843
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 5
RotatableBondCount: 9
Xlogp3: -1.7
CatalogNumber:
AE39213
ChemicalName:
2-(4-(((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzamido)-4-formylpentanedioic acid
CasNumber:
134-05-4
MolecularFormula:
C20H19N7O7
MolecularWeight:
469.4076
MdlNumber:
MFCD22666228
Smiles:
O=CN(c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1c[nH]c2-c(n1)c(=O)nc(n2)N
Complexity:
843
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
5
RotatableBondCount:
9
Xlogp3:
-1.7
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Smiles: OC(=O)C1c2ccc(n2C(C1([2H])[2H])([2H])[2H])C(=O)c1ccccc1
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Smiles:
OC(=O)C1c2ccc(n2C(C1([2H])[2H])([2H])[2H])C(=O)c1ccccc1
Complexity:
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Smiles: CCCC(C(=O)OCC)NC(C(=O)N1C2CCCCC2CC1C(=O)OCc1ccccc1)C
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Smiles:
CCCC(C(=O)OCC)NC(C(=O)N1C2CCCCC2CC1C(=O)OCc1ccccc1)C
Complexity:
__
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DefinedAtomStereocenterCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: NCCc1cc[nH]n1.Cl.Cl
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MolecularFormula:
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MdlNumber:
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Smiles:
NCCc1cc[nH]n1.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__