Molecular properties
- Formula
- C16H17N3O4S
- Molar mass
- 347.40 g·mol−1
- Exact mass
- 347.0940 Da
- 10
- PubChem CID
- 27447
Molecule record
(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C16H17N3O4S
347.40 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkene
Amide
Aromatic ring
Carboxylic acid
Primary amine
Secondary amine
Sulfide
Tertiary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 15686-71-2
- Alsporin
- Carnosporin
- Cefaleksin
- Cefalexin
- Cefalexina
- Cefalexine
- Cefaloto
Show all 24 synonyms
- Cepastar
- Cepexin
- Cephacillin
- Cephalexine
- Cephalexinum
- Ceporex
- Ceporexin
- Ceporexine
- Durantel
- Felexin
- Keflex
- Mamalexin
- Pyassan
- Sinthecillin
- Uphalexin
- cephalexin
Structure identifiers
- Canonical SMILES
- CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1
- Isomeric SMILES
- CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O
- InChI
- InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
- InChIKey
- ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
- PubChem CID
- 27447
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.