AI09822
115545-85-2 | Methyl (2S)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoate
Manufacturer: A2B Chem
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CatalogNumber
AI09822
ChemicalName
Methyl (2S)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoate
CasNumber
115545-85-2
MolecularFormula
C23H23NO2S
MolecularWeight
377.49922000000004
MdlNumber
MFCD27578273
Smiles
COC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N
Complexity
406
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
8
Xlogp3
4.6
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CatalogNumber: AI09822
ChemicalName: Methyl (2S)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoate
CasNumber: 115545-85-2
MolecularFormula: C23H23NO2S
MolecularWeight: 377.49922000000004
MdlNumber: MFCD27578273
Smiles: COC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N
Complexity: 406
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 4.6
CatalogNumber:
AI09822
ChemicalName:
Methyl (2S)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoate
CasNumber:
115545-85-2
MolecularFormula:
C23H23NO2S
MolecularWeight:
377.49922000000004
MdlNumber:
MFCD27578273
Smiles:
COC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N
Complexity:
406
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ccc(cc1)S(=O)(=O)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ccc(cc1)S(=O)(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: ClCCC(=O)Nc1ccc(c(c1)C(=O)O)Cl
Complexity: __
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DefinedAtomStereocenterCount: __
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
ClCCC(=O)Nc1ccc(c(c1)C(=O)O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNS(=O)(=O)c1ccc(c(c1)Cl)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNS(=O)(=O)c1ccc(c(c1)Cl)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__