AB49981
402958-96-7 | (S)-2-((S)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49981
ChemicalName
(S)-2-((S)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoic acid
CasNumber
402958-96-7
MolecularFormula
C19H28N4O4
MolecularWeight
376.45
MdlNumber
MFCD11865138
Smiles
O=C([C@H](C1CCCCC1)NC(=O)c1nccnc1)N[C@@H](C(C)(C)C)C(=O)O
Complexity
540
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
27
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
7
Xlogp3
2.5
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CatalogNumber: AB49981
ChemicalName: (S)-2-((S)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoic acid
CasNumber: 402958-96-7
MolecularFormula: C19H28N4O4
MolecularWeight: 376.45
MdlNumber: MFCD11865138
Smiles: O=C([C@H](C1CCCCC1)NC(=O)c1nccnc1)N[C@@H](C(C)(C)C)C(=O)O
Complexity: 540
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 7
Xlogp3: 2.5
CatalogNumber:
AB49981
ChemicalName:
(S)-2-((S)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoic acid
CasNumber:
402958-96-7
MolecularFormula:
C19H28N4O4
MolecularWeight:
376.45
MdlNumber:
MFCD11865138
Smiles:
O=C([C@H](C1CCCCC1)NC(=O)c1nccnc1)N[C@@H](C(C)(C)C)C(=O)O
Complexity:
540
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
7
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C)c(c(c1)C)I
Complexity: 99.3
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(C)c(c(c1)C)I
Complexity:
99.3
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCCN(CC1)C(=O)OC(C)(C)C
Complexity: 223
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCCN(CC1)C(=O)OC(C)(C)C
Complexity:
223
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: AB49984
ChemicalName: 2-Bromo-3-hydroxybenzaldehyde
CasNumber: 196081-71-7
MolecularFormula: C7H5BrO2
MolecularWeight: 201.0174
MdlNumber: MFCD00092081
Smiles: O=Cc1cccc(c1Br)O
Complexity: 127
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB49984
ChemicalName:
2-Bromo-3-hydroxybenzaldehyde
CasNumber:
196081-71-7
MolecularFormula:
C7H5BrO2
MolecularWeight:
201.0174
MdlNumber:
MFCD00092081
Smiles:
O=Cc1cccc(c1Br)O
Complexity:
127
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7