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Molecule record

(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C22H25N3O7S

475.52 g/mol

Loading structure

Molecular properties

Formula
C22H25N3O7S
Molar mass
475.52 g·mol−1
Exact mass
475.1413 Da
12
PubChem CID
150610

Functional groups

Alcohol
Alkane / alkyl carbon
Alkene
Amide
Aromatic ring
Carboxylic acid
Secondary amine
Sulfide
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 153832-46-3
  • 836-232-1
  • C22H25N3O7S
  • CHEBI:404903
  • CHEMBL1359
  • DTXCID0087947
  • DTXSID50165456
  • ERTAPENEM [MI]
Show all 24 synonyms
  • ERTAPENEM [VANDF]
  • ERTAPENEM [WHO-DD]
  • Ertapenem
  • Ertapenem [INN:BAN]
  • Ertapenem [INN]
  • G32F6EID2H
  • HSDB 8020
  • Invanz
  • Invanz (TN)
  • J01DH03
  • MFCD05662246
  • MK-826
  • RefChem:56902
  • UNII-G32F6EID2H
  • ertapenem hydrochloride
  • ertapenemum

Structure identifiers

Canonical SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)[C@H](C)[C@H]12
Isomeric SMILES
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)[C@@H](C)O
InChI
InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1
InChIKey
JUZNIMUFDBIJCM-ANEDZVCMSA-N
PubChem CID
150610

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-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.

PubChem(link only)
Open source record