AF61525
206645-99-0 | Compstatin
Manufacturer: A2B Chem
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CatalogNumber
AF61525
ChemicalName
Compstatin
CasNumber
206645-99-0
MolecularFormula
C66H99N23O17S2
MolecularWeight
1550.7662
MdlNumber
MFCD09263618
Smiles
CC[C@@H]([C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2nc[nH]c2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)CCC(=O)N)CC(=O)O)Cc1c[nH]c2c1cccc2)Cc1nc[nH]c1)C(=O)N[C@H](C(=O)N)[C@H](O)C)N)C
Complexity
3180
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
14
HeavyAtomCount
108
HydrogenBondAcceptorCount
23
HydrogenBondDonorCount
22
RotatableBondCount
25
Xlogp3
-6.7
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CatalogNumber: AF61525
ChemicalName: Compstatin
CasNumber: 206645-99-0
MolecularFormula: C66H99N23O17S2
MolecularWeight: 1550.7662
MdlNumber: MFCD09263618
Smiles: CC[C@@H]([C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2nc[nH]c2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)CCC(=O)N)CC(=O)O)Cc1c[nH]c2c1cccc2)Cc1nc[nH]c1)C(=O)N[C@H](C(=O)N)[C@H](O)C)N)C
Complexity: 3180
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 14
HeavyAtomCount: 108
HydrogenBondAcceptorCount: 23
HydrogenBondDonorCount: 22
RotatableBondCount: 25
Xlogp3: -6.7
CatalogNumber:
AF61525
ChemicalName:
Compstatin
CasNumber:
206645-99-0
MolecularFormula:
C66H99N23O17S2
MolecularWeight:
1550.7662
MdlNumber:
MFCD09263618
Smiles:
CC[C@@H]([C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2nc[nH]c2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)CCC(=O)N)CC(=O)O)Cc1c[nH]c2c1cccc2)Cc1nc[nH]c1)C(=O)N[C@H](C(=O)N)[C@H](O)C)N)C
Complexity:
3180
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
14
HeavyAtomCount:
108
HydrogenBondAcceptorCount:
23
HydrogenBondDonorCount:
22
RotatableBondCount:
25
Xlogp3:
-6.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1C(=O)NC(C(=O)N1)C
Complexity: __
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DefinedAtomStereocenterCount: __
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__
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Smiles:
CC1C(=O)NC(C(=O)N1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: OC[C@@H]1NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H]1NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)CC1NC(=O)C(NC1=O)Cc1c[nH]c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1)CC1NC(=O)C(NC1=O)Cc1c[nH]c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__