AE35735
1350514-68-9 | MK-5172
Manufacturer: A2B Chem
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CatalogNumber
AE35735
ChemicalName
MK-5172
CasNumber
1350514-68-9
MolecularFormula
C38H50N6O9S
MolecularWeight
766.9034
MdlNumber
MFCD25976700
Smiles
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(O2)nc2cc(OC)ccc2n1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Complexity
1580
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
7
HeavyAtomCount
54
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
3
RotatableBondCount
8
Xlogp3
4.7
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CatalogNumber: AE35735
ChemicalName: MK-5172
CasNumber: 1350514-68-9
MolecularFormula: C38H50N6O9S
MolecularWeight: 766.9034
MdlNumber: MFCD25976700
Smiles: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(O2)nc2cc(OC)ccc2n1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Complexity: 1580
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 7
HeavyAtomCount: 54
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 3
RotatableBondCount: 8
Xlogp3: 4.7
CatalogNumber:
AE35735
ChemicalName:
MK-5172
CasNumber:
1350514-68-9
MolecularFormula:
C38H50N6O9S
MolecularWeight:
766.9034
MdlNumber:
MFCD25976700
Smiles:
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(O2)nc2cc(OC)ccc2n1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Complexity:
1580
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
7
HeavyAtomCount:
54
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
3
RotatableBondCount:
8
Xlogp3:
4.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C=CC1CC1(NC(=O)C1CC2CN1C(=O)C(NC(=O)OC1CC1CCCCCc1c(O2)nc2cc(OC)ccc2n1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1.O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC1CC1(NC(=O)C1CC2CN1C(=O)C(NC(=O)OC1CC1CCCCCc1c(O2)nc2cc(OC)ccc2n1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1.O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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MdlNumber: __
Smiles: Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)CS(=O)(=O)NCc1ccccn1.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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__
MolecularFormula:
__
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__
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Smiles:
Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)CS(=O)(=O)NCc1ccccn1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(F)(F)F.OC(=O)Cn1nnc(n1)c1onc(c1)N1CCC(CC1)Oc1cc(F)ccc1Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(F)(F)F.OC(=O)Cn1nnc(n1)c1onc(c1)N1CCC(CC1)Oc1cc(F)ccc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__