AB13210
191869-60-0 | H-D-Arg(pmc)-oh
Manufacturer: A2B Chem
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CatalogNumber
AB13210
ChemicalName
H-D-Arg(pmc)-oh
CasNumber
191869-60-0
MolecularFormula
C20H32N4O5S
MolecularWeight
440.5569
MdlNumber
MFCD00153420
Smiles
OC(=O)[C@@H](CCCNC=NNS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(O2)(C)C)N
Complexity
749
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
4
RotatableBondCount
8
Xlogp3
-0.6
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CatalogNumber: AB13210
ChemicalName: H-D-Arg(pmc)-oh
CasNumber: 191869-60-0
MolecularFormula: C20H32N4O5S
MolecularWeight: 440.5569
MdlNumber: MFCD00153420
Smiles: OC(=O)[C@@H](CCCNC=NNS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(O2)(C)C)N
Complexity: 749
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 4
RotatableBondCount: 8
Xlogp3: -0.6
CatalogNumber:
AB13210
ChemicalName:
H-D-Arg(pmc)-oh
CasNumber:
191869-60-0
MolecularFormula:
C20H32N4O5S
MolecularWeight:
440.5569
MdlNumber:
MFCD00153420
Smiles:
OC(=O)[C@@H](CCCNC=NNS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(O2)(C)C)N
Complexity:
749
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
4
RotatableBondCount:
8
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ccc(cc1)CS(=O)(=O)NC
Complexity: 251
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1ccc(cc1)CS(=O)(=O)NC
Complexity:
251
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(F)(F)F.NN=CNCCC[C@H](C(=O)NCc1ccc(cc1)CNC(=O)N)NC(=O)C(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(F)(F)F.NN=CNCCC[C@H](C(=O)NCc1ccc(cc1)CNC(=O)N)NC(=O)C(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc2cccnc2c2c1cccn2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc2cccnc2c2c1cccn2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__