AB46389
93267-04-0 | Boc-beta-iodo-Ala-OMe
Manufacturer: A2B Chem
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CatalogNumber
AB46389
ChemicalName
Boc-beta-iodo-Ala-OMe
CasNumber
93267-04-0
MolecularFormula
C9H16INO4
MolecularWeight
329.1321
MdlNumber
MFCD00216579
Smiles
IC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
Complexity
237
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
1.4
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CatalogNumber: AB46389
ChemicalName: Boc-beta-iodo-Ala-OMe
CasNumber: 93267-04-0
MolecularFormula: C9H16INO4
MolecularWeight: 329.1321
MdlNumber: MFCD00216579
Smiles: IC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
Complexity: 237
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.4
CatalogNumber:
AB46389
ChemicalName:
Boc-beta-iodo-Ala-OMe
CasNumber:
93267-04-0
MolecularFormula:
C9H16INO4
MolecularWeight:
329.1321
MdlNumber:
MFCD00216579
Smiles:
IC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
Complexity:
237
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.4
CatalogNumber: AB46390
ChemicalName: L-Penicillamine
CasNumber: 1113-41-3
MolecularFormula: C5H11NO2S
MolecularWeight: 149.2113
MdlNumber: MFCD00064303
Smiles: N[C@@H](C(S)(C)C)C(=O)O
Complexity: 124
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -1.8
CatalogNumber:
AB46390
ChemicalName:
L-Penicillamine
CasNumber:
1113-41-3
MolecularFormula:
C5H11NO2S
MolecularWeight:
149.2113
MdlNumber:
MFCD00064303
Smiles:
N[C@@H](C(S)(C)C)C(=O)O
Complexity:
124
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H](Cc1ccccc1)N
Complexity: 99.7
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H](Cc1ccccc1)N
Complexity:
99.7
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__