AB76581
35146-32-8 | H-His(trt)-OH
Manufacturer: A2B Chem
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CatalogNumber
AB76581
ChemicalName
H-His(trt)-OH
CasNumber
35146-32-8
MolecularFormula
C25H23N3O2
MolecularWeight
397.46902
MdlNumber
MFCD00153444
Smiles
OC(=O)[C@H](Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)N
Complexity
505
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
1.5
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CatalogNumber: AB76581
ChemicalName: H-His(trt)-OH
CasNumber: 35146-32-8
MolecularFormula: C25H23N3O2
MolecularWeight: 397.46902
MdlNumber: MFCD00153444
Smiles: OC(=O)[C@H](Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)N
Complexity: 505
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 1.5
CatalogNumber:
AB76581
ChemicalName:
H-His(trt)-OH
CasNumber:
35146-32-8
MolecularFormula:
C25H23N3O2
MolecularWeight:
397.46902
MdlNumber:
MFCD00153444
Smiles:
OC(=O)[C@H](Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)N
Complexity:
505
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCNC(=O)C(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCNC(=O)C(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOCNC(=O)C=C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOCNC(=O)C=C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Nc1cccc2c1ccnc2
Complexity: 217
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Nc1cccc2c1ccnc2
Complexity:
217
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3