AA72252
1446478-15-4 | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-trityl-2H-tetrazol-5-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA72252
ChemicalName
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-trityl-2H-tetrazol-5-yl)propanoic acid
CasNumber
1446478-15-4
MolecularFormula
C38H31N5O4
MolecularWeight
621.6838
MdlNumber
MFCD27922152
Smiles
O=C(N[C@H](C(=O)O)Cc1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity
974
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
47
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
11
Xlogp3
7.7
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CatalogNumber: AA72252
ChemicalName: (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-trityl-2H-tetrazol-5-yl)propanoic acid
CasNumber: 1446478-15-4
MolecularFormula: C38H31N5O4
MolecularWeight: 621.6838
MdlNumber: MFCD27922152
Smiles: O=C(N[C@H](C(=O)O)Cc1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity: 974
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 47
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 11
Xlogp3: 7.7
CatalogNumber:
AA72252
ChemicalName:
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-trityl-2H-tetrazol-5-yl)propanoic acid
CasNumber:
1446478-15-4
MolecularFormula:
C38H31N5O4
MolecularWeight:
621.6838
MdlNumber:
MFCD27922152
Smiles:
O=C(N[C@H](C(=O)O)Cc1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity:
974
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
47
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
11
Xlogp3:
7.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC[Sn](c1ncc2c(n1)cccc2)(CCCC)CCCC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC[Sn](c1ncc2c(n1)cccc2)(CCCC)CCCC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCC(Cc1ccsc1)CCCCCCCCCC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCC(Cc1ccsc1)CCCCCCCCCC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA72255
ChemicalName: 5-Bromo-2-methoxybenzonitrile
CasNumber: 144649-99-0
MolecularFormula: C8H6BrNO
MolecularWeight: 212.0433
MdlNumber: MFCD00143429
Smiles: N#Cc1cc(Br)ccc1OC
Complexity: 174
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AA72255
ChemicalName:
5-Bromo-2-methoxybenzonitrile
CasNumber:
144649-99-0
MolecularFormula:
C8H6BrNO
MolecularWeight:
212.0433
MdlNumber:
MFCD00143429
Smiles:
N#Cc1cc(Br)ccc1OC
Complexity:
174
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.3