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Basic information
- Standard SMILES
C=CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCCCNC(=O)OC(C)(C)C)c3csc(NC=O)n3)[C@H]2SC1- InChIKey
DWURNZHGMLXXOZ-FBLFFUNLSA-N- Molecular formula
- C26H32N10O8S3
- Average molar mass
- 708.8 g/mol
- Monoisotopic mass
- 708.15667154
Names & identifiers
- Preferred name
- 7-[2-(2-formamidothiazol-4-yl)-2-(3-tert-butoxycarbonylaminopropoxyimino)acetamido]-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid
- IUPAC
- (6R)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxyimino]acetyl]amino]-8-oxo-3-[(1-prop-2-enyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
DWURNZHGMLXXOZ-FBLFFUNLSA-N7-[2-(2-formamidothiazol-4-yl)-2-(3-tert-butoxycarbonylaminopropoxyimino)acetamido]-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid
Database identifiers
- PubChem CID
- 131715319
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 311 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 17
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,280
Related reactions
2 records
Compound notes
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