AB49690
55516-54-6 | L-1-Naphthylalanine
Manufacturer: A2B Chem
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CatalogNumber
AB49690
ChemicalName
L-1-Naphthylalanine
CasNumber
55516-54-6
MolecularFormula
C13H13NO2
MolecularWeight
215.24782000000002
MdlNumber
MFCD00066086
Smiles
OC(=O)[C@H](Cc1cccc2c1cccc2)N
Complexity
254
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-0.1
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CatalogNumber: AB49690
ChemicalName: L-1-Naphthylalanine
CasNumber: 55516-54-6
MolecularFormula: C13H13NO2
MolecularWeight: 215.24782000000002
MdlNumber: MFCD00066086
Smiles: OC(=O)[C@H](Cc1cccc2c1cccc2)N
Complexity: 254
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AB49690
ChemicalName:
L-1-Naphthylalanine
CasNumber:
55516-54-6
MolecularFormula:
C13H13NO2
MolecularWeight:
215.24782000000002
MdlNumber:
MFCD00066086
Smiles:
OC(=O)[C@H](Cc1cccc2c1cccc2)N
Complexity:
254
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-0.1
CatalogNumber: AB49691
ChemicalName: (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b-diyl diacetate
CasNumber: 33069-62-4
MolecularFormula: C47H51NO14
MolecularWeight: 853.9061400000003
MdlNumber: MFCD00869953
Smiles: CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
Complexity: 1790
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 11
HeavyAtomCount: 62
HydrogenBondAcceptorCount: 14
HydrogenBondDonorCount: 4
RotatableBondCount: 14
Xlogp3: 2.5
CatalogNumber:
AB49691
ChemicalName:
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b-diyl diacetate
CasNumber:
33069-62-4
MolecularFormula:
C47H51NO14
MolecularWeight:
853.9061400000003
MdlNumber:
MFCD00869953
Smiles:
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
Complexity:
1790
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
11
HeavyAtomCount:
62
HydrogenBondAcceptorCount:
14
HydrogenBondDonorCount:
4
RotatableBondCount:
14
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccccc1S(=O)(=O)N
Complexity: 219
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccccc1S(=O)(=O)N
Complexity:
219
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__