AA39012
130309-37-4 | Fmoc-(2s,3as,7as)-octahydro-1h-indole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA39012
ChemicalName
Fmoc-(2s,3as,7as)-octahydro-1h-indole-2-carboxylic acid
CasNumber
130309-37-4
MolecularFormula
C24H25NO4
MolecularWeight
391.4596
MdlNumber
MFCD00191201
Smiles
OC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)OCC1c3ccccc3-c3c1cccc3)CCCC2
Complexity
614
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
29
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
4.7
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CatalogNumber: AA39012
ChemicalName: Fmoc-(2s,3as,7as)-octahydro-1h-indole-2-carboxylic acid
CasNumber: 130309-37-4
MolecularFormula: C24H25NO4
MolecularWeight: 391.4596
MdlNumber: MFCD00191201
Smiles: OC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)OCC1c3ccccc3-c3c1cccc3)CCCC2
Complexity: 614
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 4.7
CatalogNumber:
AA39012
ChemicalName:
Fmoc-(2s,3as,7as)-octahydro-1h-indole-2-carboxylic acid
CasNumber:
130309-37-4
MolecularFormula:
C24H25NO4
MolecularWeight:
391.4596
MdlNumber:
MFCD00191201
Smiles:
OC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)OCC1c3ccccc3-c3c1cccc3)CCCC2
Complexity:
614
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
4.7
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(N[C@H](C(=O)O)Cc1cccs1)OCC1c2ccccc2c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C(N[C@H](C(=O)O)Cc1cccs1)OCC1c2ccccc2c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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CatalogNumber: AA39014
ChemicalName: Fmoc-D-Tic-OH
CasNumber: 130309-33-0
MolecularFormula: C25H21NO4
MolecularWeight: 399.4385
MdlNumber: MFCD00144345
Smiles: OC(=O)[C@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 629
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 4.4
CatalogNumber:
AA39014
ChemicalName:
Fmoc-D-Tic-OH
CasNumber:
130309-33-0
MolecularFormula:
C25H21NO4
MolecularWeight:
399.4385
MdlNumber:
MFCD00144345
Smiles:
OC(=O)[C@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
629
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@H](C(=O)NC(=N)NCCC[C@H](N(C(=O)[C@@H]1NCc2c(C1)cccc2)C(=O)C1N[C@@H]2[C@H](C1)CCCC2)C(=O)O)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)N)CCCNC(=N)N)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H](C(=O)NC(=N)NCCC[C@H](N(C(=O)[C@@H]1NCc2c(C1)cccc2)C(=O)C1N[C@@H]2[C@H](C1)CCCC2)C(=O)O)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)N)CCCNC(=N)N)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__