AA08663
102185-38-6 | Boc-arg(mtr)-oh
Manufacturer: A2B Chem
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CatalogNumber
AA08663
ChemicalName
Boc-arg(mtr)-oh
CasNumber
102185-38-6
MolecularFormula
C21H34N4O7S
MolecularWeight
486.5823
MdlNumber
MFCD00043097
Smiles
COc1cc(C)c(c(c1C)C)S(=O)(=O)NC(=N)NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity
804
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
4
RotatableBondCount
12
Xlogp3
2.3
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CatalogNumber: AA08663
ChemicalName: Boc-arg(mtr)-oh
CasNumber: 102185-38-6
MolecularFormula: C21H34N4O7S
MolecularWeight: 486.5823
MdlNumber: MFCD00043097
Smiles: COc1cc(C)c(c(c1C)C)S(=O)(=O)NC(=N)NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: 804
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 4
RotatableBondCount: 12
Xlogp3: 2.3
CatalogNumber:
AA08663
ChemicalName:
Boc-arg(mtr)-oh
CasNumber:
102185-38-6
MolecularFormula:
C21H34N4O7S
MolecularWeight:
486.5823
MdlNumber:
MFCD00043097
Smiles:
COc1cc(C)c(c(c1C)C)S(=O)(=O)NC(=N)NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
804
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
4
RotatableBondCount:
12
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(NCCSC(=O)c1ccccc1)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O.[Li]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(NCCSC(=O)c1ccccc1)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O.[Li]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA08665
ChemicalName: Boc-d-pro-osu
CasNumber: 102185-34-2
MolecularFormula: C14H20N2O6
MolecularWeight: 312.3184
MdlNumber: MFCD00069687
Smiles: O=C([C@H]1CCCN1C(=O)OC(C)(C)C)ON1C(=O)CCC1=O
Complexity: 494
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 0.7
CatalogNumber:
AA08665
ChemicalName:
Boc-d-pro-osu
CasNumber:
102185-34-2
MolecularFormula:
C14H20N2O6
MolecularWeight:
312.3184
MdlNumber:
MFCD00069687
Smiles:
O=C([C@H]1CCCN1C(=O)OC(C)(C)C)ON1C(=O)CCC1=O
Complexity:
494
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC[C@@H]1CC[C@H](CC1)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC[C@@H]1CC[C@H](CC1)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__