AB48774
623950-02-7 | (S)-2-(tert-Butoxycarbonylamino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48774
ChemicalName
(S)-2-(tert-Butoxycarbonylamino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid
CasNumber
623950-02-7
MolecularFormula
C17H24N2O5
MolecularWeight
336.3829
MdlNumber
MFCD20528368
Smiles
OC(=O)[C@H](Cc1c(C)cc(cc1C)C(=O)N)NC(=O)OC(C)(C)C
Complexity
474
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
7
Xlogp3
2.1
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CatalogNumber: AB48774
ChemicalName: (S)-2-(tert-Butoxycarbonylamino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid
CasNumber: 623950-02-7
MolecularFormula: C17H24N2O5
MolecularWeight: 336.3829
MdlNumber: MFCD20528368
Smiles: OC(=O)[C@H](Cc1c(C)cc(cc1C)C(=O)N)NC(=O)OC(C)(C)C
Complexity: 474
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 7
Xlogp3: 2.1
CatalogNumber:
AB48774
ChemicalName:
(S)-2-(tert-Butoxycarbonylamino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid
CasNumber:
623950-02-7
MolecularFormula:
C17H24N2O5
MolecularWeight:
336.3829
MdlNumber:
MFCD20528368
Smiles:
OC(=O)[C@H](Cc1c(C)cc(cc1C)C(=O)N)NC(=O)OC(C)(C)C
Complexity:
474
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
7
Xlogp3:
2.1
CatalogNumber: AB48775
ChemicalName: Boc-D-Trp(For)-OH
CasNumber: 64905-10-8
MolecularFormula: C17H20N2O5
MolecularWeight: 332.3511
MdlNumber: MFCD00038004
Smiles: O=Cn1cc(c2c1cccc2)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: 488
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 2.5
CatalogNumber:
AB48775
ChemicalName:
Boc-D-Trp(For)-OH
CasNumber:
64905-10-8
MolecularFormula:
C17H20N2O5
MolecularWeight:
332.3511
MdlNumber:
MFCD00038004
Smiles:
O=Cn1cc(c2c1cccc2)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
488
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
2.5
CatalogNumber: __
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Smiles: O=C(OC(C)(C)C)CN=[N+]=[N-]
Complexity: __
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MdlNumber:
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Smiles:
O=C(OC(C)(C)C)CN=[N+]=[N-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC(COC(=O)CSSCC(=O)OCC(CCCC)CC)CC
Complexity: 330
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCC(COC(=O)CSSCC(=O)OCC(CCCC)CC)CC
Complexity:
330
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
7