AB02221
179463-17-3 | Caspofungin acetate
Manufacturer: A2B Chem
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CatalogNumber
AB02221
ChemicalName
Caspofungin acetate
CasNumber
179463-17-3
MolecularFormula
C56H96N10O19
MolecularWeight
1213.417
MdlNumber
MFCD08141839
Smiles
CC(=O)O.CC(=O)O.NCCN[C@H]1NC(=O)C2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@H](C[C@@H]1O)NC(=O)CCCCCCCCC(CC(CC)C)C)[C@H](O)C)C[C@@H](C2)O)[C@@H]([C@H](c1ccc(cc1)O)O)O)[C@@H](CCN)O
Complexity
1930
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
14
HeavyAtomCount
85
HydrogenBondAcceptorCount
22
HydrogenBondDonorCount
18
RotatableBondCount
23
UndefinedAtomStereocenterCount
2
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CatalogNumber: AB02221
ChemicalName: Caspofungin acetate
CasNumber: 179463-17-3
MolecularFormula: C56H96N10O19
MolecularWeight: 1213.417
MdlNumber: MFCD08141839
Smiles: CC(=O)O.CC(=O)O.NCCN[C@H]1NC(=O)C2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@H](C[C@@H]1O)NC(=O)CCCCCCCCC(CC(CC)C)C)[C@H](O)C)C[C@@H](C2)O)[C@@H]([C@H](c1ccc(cc1)O)O)O)[C@@H](CCN)O
Complexity: 1930
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 14
HeavyAtomCount: 85
HydrogenBondAcceptorCount: 22
HydrogenBondDonorCount: 18
RotatableBondCount: 23
UndefinedAtomStereocenterCount: 2
CatalogNumber:
AB02221
ChemicalName:
Caspofungin acetate
CasNumber:
179463-17-3
MolecularFormula:
C56H96N10O19
MolecularWeight:
1213.417
MdlNumber:
MFCD08141839
Smiles:
CC(=O)O.CC(=O)O.NCCN[C@H]1NC(=O)C2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@H](C[C@@H]1O)NC(=O)CCCCCCCCC(CC(CC)C)C)[C@H](O)C)C[C@@H](C2)O)[C@@H]([C@H](c1ccc(cc1)O)O)O)[C@@H](CCN)O
Complexity:
1930
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
14
HeavyAtomCount:
85
HydrogenBondAcceptorCount:
22
HydrogenBondDonorCount:
18
RotatableBondCount:
23
UndefinedAtomStereocenterCount:
2
CatalogNumber: __
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Smiles: OC(=O)[C@H]1[C@@H]2CC[C@H]([C@H]1N)C2.Cl
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)[C@H]1[C@@H]2CC[C@H]([C@H]1N)C2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
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MolecularFormula: __
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Smiles: O=C(c1ccccn1)O[Zn]OC(=O)c1ccccn1
Complexity: 108
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccn1)O[Zn]OC(=O)c1ccccn1
Complexity:
108
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CCC/C(=C/CCC(=O)C)/C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CCC/C(=C/CCC(=O)C)/C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__