Basic information
- Standard SMILES
NC1C(=O)N2C(C(=O)O)=C(CSc3nnc(-c4ccc(O)c(O)c4)s3)CS[C@H]12- InChIKey
XRYHPMUZDZFZQE-LNUXAPHWSA-N- Molecular formula
- C16H14N4O5S3
- Average molar mass
- 438.5 g/mol
Names & identifiers
- Preferred name
- 7-Amino-3-[2-(3,4-dihydroxyphenyl)-1,3,4-thiadiazol-5-ylthiomethyl]ceph-3-em-4-carboxylic acid
- IUPAC
- (6R)-7-amino-3-[[5-(3,4-dihydroxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
SCHEMBL9173581XRYHPMUZDZFZQE-LNUXAPHWSA-N7-amino-3-[2-(3,4-dihydroxyphenyl)-1,3,4-thiadiazol-5-ylthiomethyl]ceph-3-em-4-carboxylic acid
Database identifiers
- PubChem CID
- 136435567
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 229 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 695
Related reactions
2 records
Compound notes
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