AB08149
198560-38-2 | Fmoc-L-Indoline-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB08149
ChemicalName
Fmoc-L-Indoline-2-carboxylic acid
CasNumber
198560-38-2
MolecularFormula
C24H19NO4
MolecularWeight
385.412
MdlNumber
MFCD00273469
Smiles
OC(=O)[C@@H]1Cc2c(N1C(=O)OCC1c3ccccc3-c3c1cccc3)cccc2
Complexity
614
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
4.5
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CatalogNumber: AB08149
ChemicalName: Fmoc-L-Indoline-2-carboxylic acid
CasNumber: 198560-38-2
MolecularFormula: C24H19NO4
MolecularWeight: 385.412
MdlNumber: MFCD00273469
Smiles: OC(=O)[C@@H]1Cc2c(N1C(=O)OCC1c3ccccc3-c3c1cccc3)cccc2
Complexity: 614
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.5
CatalogNumber:
AB08149
ChemicalName:
Fmoc-L-Indoline-2-carboxylic acid
CasNumber:
198560-38-2
MolecularFormula:
C24H19NO4
MolecularWeight:
385.412
MdlNumber:
MFCD00273469
Smiles:
OC(=O)[C@@H]1Cc2c(N1C(=O)OCC1c3ccccc3-c3c1cccc3)cccc2
Complexity:
614
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cc(C(=O)[O-])c(c(c1c1c2-c(oc3c1ccc(c3)N(C)C)cc(=[N+](C)C)cc2)C(=O)O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cc(C(=O)[O-])c(c(c1c1c2-c(oc3c1ccc(c3)N(C)C)cc(=[N+](C)C)cc2)C(=O)O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB08154
ChemicalName: Fmoc-D-pentafluorophenylalanine
CasNumber: 198545-85-6
MolecularFormula: C24H16F5NO4
MolecularWeight: 477.3802
MdlNumber: MFCD00672558
Smiles: O=C(N[C@@H](C(=O)O)Cc1c(F)c(F)c(c(c1F)F)F)OCC1c2ccccc2-c2c1cccc2
Complexity: 706
Covalently-bondedUnitCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 2
RotatableBondCount: 7
UndefinedAtomStereocenterCount: __
Xlogp3: 5.1
CatalogNumber:
AB08154
ChemicalName:
Fmoc-D-pentafluorophenylalanine
CasNumber:
198545-85-6
MolecularFormula:
C24H16F5NO4
MolecularWeight:
477.3802
MdlNumber:
MFCD00672558
Smiles:
O=C(N[C@@H](C(=O)O)Cc1c(F)c(F)c(c(c1F)F)F)OCC1c2ccccc2-c2c1cccc2
Complexity:
706
Covalently-bondedUnitCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
2
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
__
Xlogp3:
5.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)Br)OCC1c2ccccc2-c2c1cccc2
Complexity: 584
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 5.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)Br)OCC1c2ccccc2-c2c1cccc2
Complexity:
584
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
5.3