Benzhydryl 7-(5-benzhydryloxycarbonyl-5-ethoxycarbonylaminopentanamido)-3-hydroxymethyl-3-cephem-4-carboxylate

HCID 14099862
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Basic information

Standard SMILES
CCOC(=O)NC(CCCC(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CO)CS[C@H]12)C(=O)OC(c1ccccc1)c1ccccc1
InChIKey
OHVLVNKVLNRRSS-SQQMDOOSSA-N
Molecular formula
C43H43N3O9S
Average molar mass
777.9 g/mol

Names & identifiers

Preferred name
Benzhydryl 7-(5-benzhydryloxycarbonyl-5-ethoxycarbonylaminopentanamido)-3-hydroxymethyl-3-cephem-4-carboxylate
IUPAC
benzhydryl (6R)-7-[[6-benzhydryloxy-5-(ethoxycarbonylamino)-6-oxohexanoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Names & synonyms

OHVLVNKVLNRRSS-SQQMDOOSSA-Nbenzhydryl 7-(5-benzhydryloxycarbonyl-5-ethoxycarbonylaminopentanamido)-3-hydroxymethyl-3-cephem-4-carboxylate

Database identifiers

PubChem CID
14099862

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
186 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
19
Heavy atoms
56

Related reactions

5 records
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Compound notes

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