AB05318
204322-78-1 | 3-Fmoc-amino-N-1-carboxymethyl-2,3,4,5-tetrahydro-1H-[1]benzazepine-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB05318
ChemicalName
3-Fmoc-amino-N-1-carboxymethyl-2,3,4,5-tetrahydro-1H-[1]benzazepine-2-one
CasNumber
204322-78-1
MolecularFormula
C27H24N2O5
MolecularWeight
456.4899
MdlNumber
MFCD00270209
Smiles
O=C(NC1CCc2c(N(C1=O)CC(=O)O)cccc2)OCC1c2ccccc2-c2c1cccc2
Complexity
750
Covalently-bondedUnitCount
1
HeavyAtomCount
34
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
4.2
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CatalogNumber: AB05318
ChemicalName: 3-Fmoc-amino-N-1-carboxymethyl-2,3,4,5-tetrahydro-1H-[1]benzazepine-2-one
CasNumber: 204322-78-1
MolecularFormula: C27H24N2O5
MolecularWeight: 456.4899
MdlNumber: MFCD00270209
Smiles: O=C(NC1CCc2c(N(C1=O)CC(=O)O)cccc2)OCC1c2ccccc2-c2c1cccc2
Complexity: 750
Covalently-bondedUnitCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.2
CatalogNumber:
AB05318
ChemicalName:
3-Fmoc-amino-N-1-carboxymethyl-2,3,4,5-tetrahydro-1H-[1]benzazepine-2-one
CasNumber:
204322-78-1
MolecularFormula:
C27H24N2O5
MolecularWeight:
456.4899
MdlNumber:
MFCD00270209
Smiles:
O=C(NC1CCc2c(N(C1=O)CC(=O)O)cccc2)OCC1c2ccccc2-c2c1cccc2
Complexity:
750
Covalently-bondedUnitCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.2
CatalogNumber: AB05319
ChemicalName: Fmoc-L-1,2,3,4-tetrahydronorharman-3-carboxylic acid
CasNumber: 204322-23-6
MolecularFormula: C27H22N2O4
MolecularWeight: 438.4746
MdlNumber: MFCD00673786
Smiles: OC(=O)[C@@H]1Cc2c(CN1C(=O)OCC1c3ccccc3-c3c1cccc3)[nH]c1c2cccc1
Complexity: 736
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 4.6
CatalogNumber:
AB05319
ChemicalName:
Fmoc-L-1,2,3,4-tetrahydronorharman-3-carboxylic acid
CasNumber:
204322-23-6
MolecularFormula:
C27H22N2O4
MolecularWeight:
438.4746
MdlNumber:
MFCD00673786
Smiles:
OC(=O)[C@@H]1Cc2c(CN1C(=O)OCC1c3ccccc3-c3c1cccc3)[nH]c1c2cccc1
Complexity:
736
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cn1cccc(c1=O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cn1cccc(c1=O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB05321
ChemicalName: (2S,4S)-Fmoc-4-amino-1-benzoyl-pyrrolidine-2-carboxylic acid
CasNumber: 204321-85-7
MolecularFormula: C27H24N2O5
MolecularWeight: 456.4899
MdlNumber: MFCD00673784
Smiles: O=C(N[C@@H]1CN([C@@H](C1)C(=O)O)C(=O)c1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity: 744
Covalently-bondedUnitCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 6
UndefinedAtomStereocenterCount: __
Xlogp3: 4
CatalogNumber:
AB05321
ChemicalName:
(2S,4S)-Fmoc-4-amino-1-benzoyl-pyrrolidine-2-carboxylic acid
CasNumber:
204321-85-7
MolecularFormula:
C27H24N2O5
MolecularWeight:
456.4899
MdlNumber:
MFCD00673784
Smiles:
O=C(N[C@@H]1CN([C@@H](C1)C(=O)O)C(=O)c1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity:
744
Covalently-bondedUnitCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
__
Xlogp3:
4