AI48970
364622-82-2 | Doripenem hydrate
Manufacturer: A2B Chem
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CatalogNumber
AI48970
ChemicalName
Doripenem hydrate
CasNumber
364622-82-2
MolecularFormula
C15H26N4O7S2
MolecularWeight
438.5195
MdlNumber
MFCD02092739
Smiles
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)CNS(=O)(=O)N)O.O
Complexity
780
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
6
HeavyAtomCount
28
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
6
RotatableBondCount
7
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CatalogNumber: AI48970
ChemicalName: Doripenem hydrate
CasNumber: 364622-82-2
MolecularFormula: C15H26N4O7S2
MolecularWeight: 438.5195
MdlNumber: MFCD02092739
Smiles: C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)CNS(=O)(=O)N)O.O
Complexity: 780
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 6
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 6
RotatableBondCount: 7
CatalogNumber:
AI48970
ChemicalName:
Doripenem hydrate
CasNumber:
364622-82-2
MolecularFormula:
C15H26N4O7S2
MolecularWeight:
438.5195
MdlNumber:
MFCD02092739
Smiles:
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)CNS(=O)(=O)N)O.O
Complexity:
780
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
6
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
6
RotatableBondCount:
7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC(=O)C2C1C1C=CC2C1
Complexity: 280
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(=O)C2C1C1C=CC2C1
Complexity:
280
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)N([C@H]1CCCNC1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)N([C@H]1CCCNC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCCOc1ccc(cn1)O
Complexity: 121
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCCOc1ccc(cn1)O
Complexity:
121
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__