AA25180
122841-12-7 | Cefoselis sulfate
Manufacturer: A2B Chem
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CatalogNumber
AA25180
ChemicalName
Cefoselis sulfate
CasNumber
122841-12-7
MolecularFormula
C19H24N8O10S3
MolecularWeight
620.6365
MdlNumber
MFCD01940015
Smiles
OS(=O)(=O)O.OCCn1c(=N)ccn1CC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)C(=NOC)c1csc(n1)N
Complexity
1100
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
40
HydrogenBondAcceptorCount
17
HydrogenBondDonorCount
7
RotatableBondCount
9
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CatalogNumber: AA25180
ChemicalName: Cefoselis sulfate
CasNumber: 122841-12-7
MolecularFormula: C19H24N8O10S3
MolecularWeight: 620.6365
MdlNumber: MFCD01940015
Smiles: OS(=O)(=O)O.OCCn1c(=N)ccn1CC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)C(=NOC)c1csc(n1)N
Complexity: 1100
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 40
HydrogenBondAcceptorCount: 17
HydrogenBondDonorCount: 7
RotatableBondCount: 9
CatalogNumber:
AA25180
ChemicalName:
Cefoselis sulfate
CasNumber:
122841-12-7
MolecularFormula:
C19H24N8O10S3
MolecularWeight:
620.6365
MdlNumber:
MFCD01940015
Smiles:
OS(=O)(=O)O.OCCn1c(=N)ccn1CC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)C(=NOC)c1csc(n1)N
Complexity:
1100
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
40
HydrogenBondAcceptorCount:
17
HydrogenBondDonorCount:
7
RotatableBondCount:
9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [I-].[Cs+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[I-].[Cs+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](c1cccc(c1)C(F)(F)F)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](c1cccc(c1)C(F)(F)F)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AA25191
ChemicalName: (2S)-2-[(tert-Butoxy)carbonylamino]-2-(2-bromophenyl)acetic acid
CasNumber: 1228547-87-2
MolecularFormula: C13H16BrNO4
MolecularWeight: 330.1744
MdlNumber: MFCD07371725
Smiles: O=C(OC(C)(C)C)N[C@@H](c1ccccc1Br)C(=O)O
Complexity: 340
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AA25191
ChemicalName:
(2S)-2-[(tert-Butoxy)carbonylamino]-2-(2-bromophenyl)acetic acid
CasNumber:
1228547-87-2
MolecularFormula:
C13H16BrNO4
MolecularWeight:
330.1744
MdlNumber:
MFCD07371725
Smiles:
O=C(OC(C)(C)C)N[C@@H](c1ccccc1Br)C(=O)O
Complexity:
340
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5