7-[2-(2-Formamidothiazol-4-yl)-2-(2-tert-butoxycarbonylaminoethoxyimino)acetamido]-3-(1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid

HCID 131715324
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NCCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CS[C@H]12)c1csc(NC=O)n1
InChIKey
ISHLZPTXBQVWGH-XPKAQORNSA-N
Molecular formula
C23H26N8O8S4
Average molar mass
670.8 g/mol

Names & identifiers

Preferred name
7-[2-(2-Formamidothiazol-4-yl)-2-(2-tert-butoxycarbonylaminoethoxyimino)acetamido]-3-(1,3,4-thiadiazol-2-yl)thiomethyl-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]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Names & synonyms

ISHLZPTXBQVWGH-XPKAQORNSA-N7-[2-(2-formamidothiazol-4-yl)-2-(2-tert-butoxycarbonylaminoethoxyimino)acetamido]-3-(1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid

Database identifiers

PubChem CID
131715324

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
321 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
16
Rotatable bonds
14
Heavy atoms
43

Related reactions

1 records
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Compound notes

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