AA34642
1260594-17-9 | (3aR,7aS)-5-((Benzyloxy)carbonyl)-2-(tert-butoxycarbonyl)octahydro-1H-pyrrolo[3,4-c]pyridine-7a-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA34642
ChemicalName
(3aR,7aS)-5-((Benzyloxy)carbonyl)-2-(tert-butoxycarbonyl)octahydro-1H-pyrrolo[3,4-c]pyridine-7a-carboxylic acid
CasNumber
1260594-17-9
MolecularFormula
C21H27N2O6
MolecularWeight
403.4489
MdlNumber
MFCD13152247
Smiles
O=C(N1CC[C@@]2([C@H](C1)CN(C2)C(=O)OC(C)(C)C)C(=O)[O-])OCc1ccccc1
Complexity
640
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
29
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
2
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CatalogNumber: AA34642
ChemicalName: (3aR,7aS)-5-((Benzyloxy)carbonyl)-2-(tert-butoxycarbonyl)octahydro-1H-pyrrolo[3,4-c]pyridine-7a-carboxylic acid
CasNumber: 1260594-17-9
MolecularFormula: C21H27N2O6
MolecularWeight: 403.4489
MdlNumber: MFCD13152247
Smiles: O=C(N1CC[C@@]2([C@H](C1)CN(C2)C(=O)OC(C)(C)C)C(=O)[O-])OCc1ccccc1
Complexity: 640
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2
CatalogNumber:
AA34642
ChemicalName:
(3aR,7aS)-5-((Benzyloxy)carbonyl)-2-(tert-butoxycarbonyl)octahydro-1H-pyrrolo[3,4-c]pyridine-7a-carboxylic acid
CasNumber:
1260594-17-9
MolecularFormula:
C21H27N2O6
MolecularWeight:
403.4489
MdlNumber:
MFCD13152247
Smiles:
O=C(N1CC[C@@]2([C@H](C1)CN(C2)C(=O)OC(C)(C)C)C(=O)[O-])OCc1ccccc1
Complexity:
640
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2
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Smiles: O=C(N[C@H](C(=O)O)Cc1c(Cl)cccc1Cl)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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Smiles:
O=C(N[C@H](C(=O)O)Cc1c(Cl)cccc1Cl)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
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RotatableBondCount:
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Smiles: O=C(N[C@H](C(=O)O)Cc1cccc(c1Cl)Cl)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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HydrogenBondDonorCount: __
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Smiles:
O=C(N[C@H](C(=O)O)Cc1cccc(c1Cl)Cl)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)O)Cc1cc(Cl)ccc1Cl)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)O)Cc1cc(Cl)ccc1Cl)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__