AE96693
149690-12-0 | (2R,4S)-Ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate HCl salt
Manufacturer: A2B Chem
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CatalogNumber
AE96693
ChemicalName
(2R,4S)-Ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate HCl salt
CasNumber
149690-12-0
MolecularFormula
C20H26ClNO2
MolecularWeight
347.8789
MdlNumber
MFCD27955986
Smiles
CCOC(=O)[C@@H](C[C@@H](Cc1ccc(cc1)c1ccccc1)N)C.Cl
Complexity
344
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
2
HeavyAtomCount
24
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
8
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CatalogNumber: AE96693
ChemicalName: (2R,4S)-Ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate HCl salt
CasNumber: 149690-12-0
MolecularFormula: C20H26ClNO2
MolecularWeight: 347.8789
MdlNumber: MFCD27955986
Smiles: CCOC(=O)[C@@H](C[C@@H](Cc1ccc(cc1)c1ccccc1)N)C.Cl
Complexity: 344
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 8
CatalogNumber:
AE96693
ChemicalName:
(2R,4S)-Ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate HCl salt
CasNumber:
149690-12-0
MolecularFormula:
C20H26ClNO2
MolecularWeight:
347.8789
MdlNumber:
MFCD27955986
Smiles:
CCOC(=O)[C@@H](C[C@@H](Cc1ccc(cc1)c1ccccc1)N)C.Cl
Complexity:
344
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
8
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Smiles: CCCCCC1CCC(CC1)c1ccc(cc1)C#Cc1ccc(c(c1)F)C#N
Complexity: __
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Smiles:
CCCCCC1CCC(CC1)c1ccc(cc1)C#Cc1ccc(c(c1)F)C#N
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Smiles: CCCc1ccc(cc1)C#Cc1ccc(c(c1)F)F
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Smiles:
CCCc1ccc(cc1)C#Cc1ccc(c(c1)F)F
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Smiles: Cc1ncc(nc1)C(=O)N[C@H]1CCCCCC=C[C@H]2[C@](NC(=O)[C@H]3N(C1=O)C[C@@H](C3)Oc1nc3ccccc3c3c1cccc3)(C2)C(=O)NS(=O)(=O)C1CC1.O.O
Complexity: __
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Smiles:
Cc1ncc(nc1)C(=O)N[C@H]1CCCCCC=C[C@H]2[C@](NC(=O)[C@H]3N(C1=O)C[C@@H](C3)Oc1nc3ccccc3c3c1cccc3)(C2)C(=O)NS(=O)(=O)C1CC1.O.O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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