AB55990
13485-59-1 | L-Alanyl-L-proline
Manufacturer: A2B Chem
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CatalogNumber
AB55990
ChemicalName
L-Alanyl-L-proline
CasNumber
13485-59-1
MolecularFormula
C8H14N2O3
MolecularWeight
186.2084
MdlNumber
MFCD00037332
Smiles
OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C
Complexity
229
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-2.7
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CatalogNumber: AB55990
ChemicalName: L-Alanyl-L-proline
CasNumber: 13485-59-1
MolecularFormula: C8H14N2O3
MolecularWeight: 186.2084
MdlNumber: MFCD00037332
Smiles: OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C
Complexity: 229
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -2.7
CatalogNumber:
AB55990
ChemicalName:
L-Alanyl-L-proline
CasNumber:
13485-59-1
MolecularFormula:
C8H14N2O3
MolecularWeight:
186.2084
MdlNumber:
MFCD00037332
Smiles:
OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C
Complexity:
229
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H](c1c(Cl)ccc(c1Cl)F)O
Complexity: 156
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H](c1c(Cl)ccc(c1Cl)F)O
Complexity:
156
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccccc1[C@@H](N)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccccc1[C@@H](N)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cccc(c1)[C@@H](N)C
Complexity: 103
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cccc(c1)[C@@H](N)C
Complexity:
103
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.3