AB01790
17901-01-8 | Boc-Ile-OMe
Manufacturer: A2B Chem
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CatalogNumber
AB01790
ChemicalName
Boc-Ile-OMe
CasNumber
17901-01-8
MolecularFormula
C12H23NO4
MolecularWeight
245.3153
MdlNumber
MFCD00038761
Smiles
CC[C@@H]([C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C
Complexity
270
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
2.6
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CatalogNumber: AB01790
ChemicalName: Boc-Ile-OMe
CasNumber: 17901-01-8
MolecularFormula: C12H23NO4
MolecularWeight: 245.3153
MdlNumber: MFCD00038761
Smiles: CC[C@@H]([C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C
Complexity: 270
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 2.6
CatalogNumber:
AB01790
ChemicalName:
Boc-Ile-OMe
CasNumber:
17901-01-8
MolecularFormula:
C12H23NO4
MolecularWeight:
245.3153
MdlNumber:
MFCD00038761
Smiles:
CC[C@@H]([C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C
Complexity:
270
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
2.6
CatalogNumber: AB01794
ChemicalName: 2-Cyano-5-methoxybenzoic acid
CasNumber: 179028-65-0
MolecularFormula: C9H7NO3
MolecularWeight: 177.1568
MdlNumber: MFCD00116264
Smiles: COc1ccc(c(c1)C(=O)O)C#N
Complexity: 243
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AB01794
ChemicalName:
2-Cyano-5-methoxybenzoic acid
CasNumber:
179028-65-0
MolecularFormula:
C9H7NO3
MolecularWeight:
177.1568
MdlNumber:
MFCD00116264
Smiles:
COc1ccc(c(c1)C(=O)O)C#N
Complexity:
243
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc2c1ncc(c2Cl)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc2c1ncc(c2Cl)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)c(Cl)c(cn2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)c(Cl)c(cn2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__