AB56043
216312-53-7 | (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB56043
ChemicalName
(S)-2-((tert-Butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic acid
CasNumber
216312-53-7
MolecularFormula
C15H18N2O4
MolecularWeight
290.31442000000004
MdlNumber
MFCD01860623
Smiles
N#Cc1ccccc1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity
433
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
2.2
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CatalogNumber: AB56043
ChemicalName: (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic acid
CasNumber: 216312-53-7
MolecularFormula: C15H18N2O4
MolecularWeight: 290.31442000000004
MdlNumber: MFCD01860623
Smiles: N#Cc1ccccc1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: 433
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 2.2
CatalogNumber:
AB56043
ChemicalName:
(S)-2-((tert-Butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic acid
CasNumber:
216312-53-7
MolecularFormula:
C15H18N2O4
MolecularWeight:
290.31442000000004
MdlNumber:
MFCD01860623
Smiles:
N#Cc1ccccc1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
433
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
2.2
CatalogNumber: AB56044
ChemicalName: Boc-l-3-trifluoromethylphenylalanine
CasNumber: 142995-31-1
MolecularFormula: C15H18F3NO4
MolecularWeight: 333.3029
MdlNumber: MFCD00672524
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1cccc(c1)C(F)(F)F
Complexity: 431
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 3.4
CatalogNumber:
AB56044
ChemicalName:
Boc-l-3-trifluoromethylphenylalanine
CasNumber:
142995-31-1
MolecularFormula:
C15H18F3NO4
MolecularWeight:
333.3029
MdlNumber:
MFCD00672524
Smiles:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1cccc(c1)C(F)(F)F
Complexity:
431
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
3.4
CatalogNumber: AB56045
ChemicalName: Boc-L-pentafluorophenylalanine
CasNumber: 34702-60-8
MolecularFormula: C14H14F5NO4
MolecularWeight: 355.2573
MdlNumber: MFCD00151893
Smiles: OC(=O)[C@H](Cc1c(F)c(F)c(c(c1F)F)F)NC(=O)OC(C)(C)C
Complexity: 457
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 3
CatalogNumber:
AB56045
ChemicalName:
Boc-L-pentafluorophenylalanine
CasNumber:
34702-60-8
MolecularFormula:
C14H14F5NO4
MolecularWeight:
355.2573
MdlNumber:
MFCD00151893
Smiles:
OC(=O)[C@H](Cc1c(F)c(F)c(c(c1F)F)F)NC(=O)OC(C)(C)C
Complexity:
457
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
3
CatalogNumber: AB56046
ChemicalName: Fmoc-L-beta-homoproline
CasNumber: 193693-60-6
MolecularFormula: C21H21NO4
MolecularWeight: 351.3957
MdlNumber: MFCD01863058
Smiles: OC(=O)C[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 514
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.3
CatalogNumber:
AB56046
ChemicalName:
Fmoc-L-beta-homoproline
CasNumber:
193693-60-6
MolecularFormula:
C21H21NO4
MolecularWeight:
351.3957
MdlNumber:
MFCD01863058
Smiles:
OC(=O)C[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
514
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.3