AA62724
1405-37-4 | Capreomycin sulfate
Manufacturer: A2B Chem
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CatalogNumber
AA62724
ChemicalName
Capreomycin sulfate
CasNumber
1405-37-4
MolecularFormula
C24H44N14O12S
MolecularWeight
752.7577600000006
MdlNumber
MFCD00079032
Smiles
OS(=O)(=O)O.NCCC[C@@H](C(=O)NC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)/C(=C/NC(=O)N)/NC1=O)C1CCN=C(N1)N)N
Complexity
1310
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
5
DefinedBondStereocenterCount
1
HeavyAtomCount
51
HydrogenBondAcceptorCount
16
HydrogenBondDonorCount
16
RotatableBondCount
9
UndefinedAtomStereocenterCount
1
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CatalogNumber: AA62724
ChemicalName: Capreomycin sulfate
CasNumber: 1405-37-4
MolecularFormula: C24H44N14O12S
MolecularWeight: 752.7577600000006
MdlNumber: MFCD00079032
Smiles: OS(=O)(=O)O.NCCC[C@@H](C(=O)NC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)/C(=C/NC(=O)N)/NC1=O)C1CCN=C(N1)N)N
Complexity: 1310
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 5
DefinedBondStereocenterCount: 1
HeavyAtomCount: 51
HydrogenBondAcceptorCount: 16
HydrogenBondDonorCount: 16
RotatableBondCount: 9
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AA62724
ChemicalName:
Capreomycin sulfate
CasNumber:
1405-37-4
MolecularFormula:
C24H44N14O12S
MolecularWeight:
752.7577600000006
MdlNumber:
MFCD00079032
Smiles:
OS(=O)(=O)O.NCCC[C@@H](C(=O)NC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)/C(=C/NC(=O)N)/NC1=O)C1CCN=C(N1)N)N
Complexity:
1310
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
5
DefinedBondStereocenterCount:
1
HeavyAtomCount:
51
HydrogenBondAcceptorCount:
16
HydrogenBondDonorCount:
16
RotatableBondCount:
9
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OS(=O)(=O)O.NCC[C@@H](C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)CCN)Cc1ccccc1)CC(C)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)CCCCC(CC)C)CCN
Complexity: 2240
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)O.NCC[C@@H](C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)CCN)Cc1ccccc1)CC(C)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)CCCCC(CC)C)CCN
Complexity:
2240
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)O)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1N)O)O)N.O.O.O
Complexity: 953
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)O)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1N)O)O)N.O.O.O
Complexity:
953
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1C=CC(C)COC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(C(C(CC(CC(CC(CC(CC(CC(C1)O)O)O)O)O)O)O)C)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1C=CC(C)COC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(C(C(CC(CC(CC(CC(CC(CC(C1)O)O)O)O)O)O)O)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__