AB71488
3392-08-3 | Boc-ile-osu
Manufacturer: A2B Chem
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CatalogNumber
AB71488
ChemicalName
Boc-ile-osu
CasNumber
3392-08-3
MolecularFormula
C15H24N2O6
MolecularWeight
328.3609
MdlNumber
MFCD00022585
Smiles
CCC([C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C)C
NscNumber
334339
Complexity
481
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
23
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
8
Xlogp3
1.7
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CatalogNumber: AB71488
ChemicalName: Boc-ile-osu
CasNumber: 3392-08-3
MolecularFormula: C15H24N2O6
MolecularWeight: 328.3609
MdlNumber: MFCD00022585
Smiles: CCC([C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C)C
NscNumber: 334339
Complexity: 481
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 1.7
CatalogNumber:
AB71488
ChemicalName:
Boc-ile-osu
CasNumber:
3392-08-3
MolecularFormula:
C15H24N2O6
MolecularWeight:
328.3609
MdlNumber:
MFCD00022585
Smiles:
CCC([C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C)C
NscNumber:
334339
Complexity:
481
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
1.7
CatalogNumber: AB71489
ChemicalName: Boc-L-1,2,3,4-tetrahydronorharman-3-carboxylic acid
CasNumber: 66863-43-2
MolecularFormula: C17H20N2O4
MolecularWeight: 316.3517
MdlNumber: MFCD00800580
Smiles: OC(=O)[C@@H]1Cc2c(CN1C(=O)OC(C)(C)C)[nH]c1c2cccc1
NscNumber: __
Complexity: 488
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AB71489
ChemicalName:
Boc-L-1,2,3,4-tetrahydronorharman-3-carboxylic acid
CasNumber:
66863-43-2
MolecularFormula:
C17H20N2O4
MolecularWeight:
316.3517
MdlNumber:
MFCD00800580
Smiles:
OC(=O)[C@@H]1Cc2c(CN1C(=O)OC(C)(C)C)[nH]c1c2cccc1
NscNumber:
__
Complexity:
488
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCC(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCC(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](Cc1ccc(cc1)Cl)NC(=O)OC(C)(C)C
NscNumber: __
Complexity: 346
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H](Cc1ccc(cc1)Cl)NC(=O)OC(C)(C)C
NscNumber:
__
Complexity:
346
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4