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Molecule record

(1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone

C24H36N4O6S2

540.71 g/mol

Loading structure

Molecular properties

Formula
C24H36N4O6S2
Molar mass
540.71 g·mol−1
Exact mass
540.2076 Da
9
PubChem CID
5352062

Functional groups

Alkane / alkyl carbon
Alkene
Amide
Ester
Ether
Secondary amine

Physical properties

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

Common names and synonyms

  • 128517-07-7
  • Antibiotic FR 901228
  • CHEBI:61080
  • CHEMBL343448
  • CX3T89XQBK
  • Chromadax
  • DEPSIPEPTIDE [WHO-DD]
  • DTXCID8028505
Show all 24 synonyms
  • DTXSID8048579
  • Depsipeptide
  • FK-228
  • FK228
  • FR-901228
  • FR901228
  • Istodax
  • L01XX39
  • MFCD18433404
  • NSC-630176
  • NSC754143
  • RefChem:56937
  • Romidepsin
  • romidepsina
  • romidepsine
  • romidepsinum

Structure identifiers

Canonical SMILES
C/C=C1\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O
Isomeric SMILES
C/C=C\1/C(=O)N[C@H](C(=O)O[C@H]\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(C)C
InChI
InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1
InChIKey
OHRURASPPZQGQM-GCCNXGTGSA-N
PubChem CID
5352062

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 (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; 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
(1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-di… - Formula, Structure | ChemArche