7-[2-(2-Formamidothiazol-4-yl)-2-(2-tert-butoxycarbonylaminoethoxyimino)acetamido]-3-methyl-3-cephem-4-carboxylic acid

HCID 131715317
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Basic information

Standard SMILES
CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCCNC(=O)OC(C)(C)C)c3csc(NC=O)n3)[C@H]2SC1
InChIKey
BGGWJWWJVQQZEF-LRHAYUFXSA-N
Molecular formula
C21H26N6O8S2
Average molar mass
554.6 g/mol
Monoisotopic mass
554.12535416

Names & identifiers

Preferred name
7-[2-(2-Formamidothiazol-4-yl)-2-(2-tert-butoxycarbonylaminoethoxyimino)acetamido]-3-methyl-3-cephem-4-carboxylic acid
IUPAC
(6R)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxyimino]acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Names & synonyms

BGGWJWWJVQQZEF-LRHAYUFXSA-N7-[2-(2-formamidothiazol-4-yl)-2-(2-tert-butoxycarbonylaminoethoxyimino)acetamido]-3-methyl-3-cephem-4-carboxylic acid

Database identifiers

PubChem CID
131715317

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
242 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
12
Rotatable bonds
11
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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