AB18544
20829-55-4 | Cyclo(-trp-trp)
Manufacturer: A2B Chem
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CatalogNumber
AB18544
ChemicalName
Cyclo(-trp-trp)
CasNumber
20829-55-4
MolecularFormula
C22H20N4O2
MolecularWeight
372.4198
MdlNumber
MFCD00237621
Smiles
O=C1N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H]1Cc1c[nH]c2c1cccc2
Complexity
559
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
28
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
4
RotatableBondCount
4
Xlogp3
2.9
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CatalogNumber: AB18544
ChemicalName: Cyclo(-trp-trp)
CasNumber: 20829-55-4
MolecularFormula: C22H20N4O2
MolecularWeight: 372.4198
MdlNumber: MFCD00237621
Smiles: O=C1N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H]1Cc1c[nH]c2c1cccc2
Complexity: 559
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 4
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AB18544
ChemicalName:
Cyclo(-trp-trp)
CasNumber:
20829-55-4
MolecularFormula:
C22H20N4O2
MolecularWeight:
372.4198
MdlNumber:
MFCD00237621
Smiles:
O=C1N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H]1Cc1c[nH]c2c1cccc2
Complexity:
559
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
4
RotatableBondCount:
4
Xlogp3:
2.9
CatalogNumber: __
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Smiles: CC(=O)CNc1c(I)c(NC(=O)C)c(c(c1I)C(=O)[O-])I.CC(=O)CNc1c(I)c(NC(=O)C)c(c(c1I)C(=O)[O-])I.[Ca+2]
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Smiles:
CC(=O)CNc1c(I)c(NC(=O)C)c(c(c1I)C(=O)[O-])I.CC(=O)CNc1c(I)c(NC(=O)C)c(c(c1I)C(=O)[O-])I.[Ca+2]
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COC(=O)CCCc1cccs1
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__
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Smiles:
COC(=O)CCCc1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
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Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__