AF30467
27493-61-4 | H-Val-Ala-OH
Manufacturer: A2B Chem
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CatalogNumber
AF30467
ChemicalName
H-Val-Ala-OH
CasNumber
27493-61-4
MolecularFormula
C8H16N2O3
MolecularWeight
188.2242
MdlNumber
MFCD00020397
Smiles
CC([C@@H](C(=O)N[C@H](C(=O)O)C)N)C
Complexity
204
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
4
Xlogp3
-3.8
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CatalogNumber: AF30467
ChemicalName: H-Val-Ala-OH
CasNumber: 27493-61-4
MolecularFormula: C8H16N2O3
MolecularWeight: 188.2242
MdlNumber: MFCD00020397
Smiles: CC([C@@H](C(=O)N[C@H](C(=O)O)C)N)C
Complexity: 204
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: -3.8
CatalogNumber:
AF30467
ChemicalName:
H-Val-Ala-OH
CasNumber:
27493-61-4
MolecularFormula:
C8H16N2O3
MolecularWeight:
188.2242
MdlNumber:
MFCD00020397
Smiles:
CC([C@@H](C(=O)N[C@H](C(=O)O)C)N)C
Complexity:
204
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
-3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OCc1ccccc1)NCC(=O)ON1C(=O)CCC1=O
Complexity: 442
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OCc1ccccc1)NCC(=O)ON1C(=O)CCC1=O
Complexity:
442
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(C(=O)O)(CC)N
Complexity: 108
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(C(=O)O)(CC)N
Complexity:
108
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.8