AD60397
215190-25-3 | (3S)-Fmoc-3-amino-1-carboxymethyl-valerolactame
Manufacturer: A2B Chem
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CatalogNumber
AD60397
ChemicalName
(3S)-Fmoc-3-amino-1-carboxymethyl-valerolactame
CasNumber
215190-25-3
MolecularFormula
C22H22N2O5
MolecularWeight
394.4205
MdlNumber
MFCD02179648
Smiles
OC(=O)CN1CCC[C@@H](C1=O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity
617
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
2.7
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CatalogNumber: AD60397
ChemicalName: (3S)-Fmoc-3-amino-1-carboxymethyl-valerolactame
CasNumber: 215190-25-3
MolecularFormula: C22H22N2O5
MolecularWeight: 394.4205
MdlNumber: MFCD02179648
Smiles: OC(=O)CN1CCC[C@@H](C1=O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 617
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 2.7
CatalogNumber:
AD60397
ChemicalName:
(3S)-Fmoc-3-amino-1-carboxymethyl-valerolactame
CasNumber:
215190-25-3
MolecularFormula:
C22H22N2O5
MolecularWeight:
394.4205
MdlNumber:
MFCD02179648
Smiles:
OC(=O)CN1CCC[C@@H](C1=O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
617
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
2.7
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Smiles: CC[C@@H]([C@@H]([C@H](CC(=O)O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)C
Complexity: __
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Smiles:
CC[C@@H]([C@@H]([C@H](CC(=O)O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: O=C(OC(C)(C)C)NCc1ccc(s1)Br
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CasNumber:
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MolecularFormula:
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Smiles:
O=C(OC(C)(C)C)NCc1ccc(s1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=c1[nH]nc2n1ncc1c2cccc1
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=c1[nH]nc2n1ncc1c2cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__