AE08409
103060-53-3 | Daptomycin
Manufacturer: A2B Chem
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CatalogNumber
AE08409
ChemicalName
Daptomycin
CasNumber
103060-53-3
MolecularFormula
C72H101N17O26
MolecularWeight
1620.6706399999994
MdlNumber
MFCD08282794
Smiles
NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CCCCCCCCC)CC(=O)N)CC(=O)O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)C)CC(=O)O)CO)[C@@H](CC(=O)O)C)CC(=O)c1ccccc1N
Complexity
3480
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
13
HeavyAtomCount
115
HydrogenBondAcceptorCount
28
HydrogenBondDonorCount
22
RotatableBondCount
35
Xlogp3
-5.1
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CatalogNumber: AE08409
ChemicalName: Daptomycin
CasNumber: 103060-53-3
MolecularFormula: C72H101N17O26
MolecularWeight: 1620.6706399999994
MdlNumber: MFCD08282794
Smiles: NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CCCCCCCCC)CC(=O)N)CC(=O)O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)C)CC(=O)O)CO)[C@@H](CC(=O)O)C)CC(=O)c1ccccc1N
Complexity: 3480
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 13
HeavyAtomCount: 115
HydrogenBondAcceptorCount: 28
HydrogenBondDonorCount: 22
RotatableBondCount: 35
Xlogp3: -5.1
CatalogNumber:
AE08409
ChemicalName:
Daptomycin
CasNumber:
103060-53-3
MolecularFormula:
C72H101N17O26
MolecularWeight:
1620.6706399999994
MdlNumber:
MFCD08282794
Smiles:
NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CCCCCCCCC)CC(=O)N)CC(=O)O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)C)CC(=O)O)CO)[C@@H](CC(=O)O)C)CC(=O)c1ccccc1N
Complexity:
3480
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
13
HeavyAtomCount:
115
HydrogenBondAcceptorCount:
28
HydrogenBondDonorCount:
22
RotatableBondCount:
35
Xlogp3:
-5.1
CatalogNumber: __
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Smiles: CC[C@@H](N1CCCC1=O)C(=O)O
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Smiles:
CC[C@@H](N1CCCC1=O)C(=O)O
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCN1CC2(C)CCC(C34C1C(CC23)C12C4CC(C(C1)C(=C)C2O)O)O
Complexity: __
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Smiles:
CCN1CC2(C)CCC(C34C1C(CC23)C12C4CC(C(C1)C(=C)C2O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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Smiles: C(NCc1cccs1)COc1ccccc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C(NCc1cccs1)COc1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__