7-[2-(2-formamidothiazol-4-yl)-2-(2-tert-butoxycarbonylaminoethoxyimino)acetamido]-3-(1-methyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid

HCID 131715314
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Basic information

Standard SMILES
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCCNC(=O)OC(C)(C)C)c3csc(NC=O)n3)[C@H]2SC1
InChIKey
FTVUDEKGLYYAJQ-XPKAQORNSA-N
Molecular formula
C23H28N10O8S3
Average molar mass
668.7 g/mol
Monoisotopic mass
668.12537141

Names & identifiers

Preferred name
7-[2-(2-formamidothiazol-4-yl)-2-(2-tert-butoxycarbonylaminoethoxyimino)acetamido]-3-(1-methyl-1H-tetrazol-5-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]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Names & synonyms

FTVUDEKGLYYAJQ-XPKAQORNSA-N7-[2-(2-formamidothiazol-4-yl)-2-(2-tert-butoxycarbonylaminoethoxyimino)acetamido]-3-(1-methyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid

Database identifiers

PubChem CID
131715314

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
311 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
16
Rotatable bonds
14
Heavy atoms
44

Related reactions

2 records
New reaction record

Compound notes

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