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Basic information
- Standard SMILES
CC=C1NC(=O)C2CSSCCC=CC(CC(=O)NC(C(C)C)C(=O)N2)OC(=O)C(C(C)C)NC1=O- InChIKey
OHRURASPPZQGQM-UHFFFAOYSA-N- Molecular formula
- C24H36N4O6S2
- Average molar mass
- 540.7 g/mol
- Monoisotopic mass
- 540.20762723
Names & identifiers
- Preferred name
- 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
- IUPAC
- 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
Names & synonyms
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-pentoneRomidepsin (FK228; Depsipeptide)FK 228;FR 901228;NSC 630176Neuro_000275CHEMBL2130995SCHEMBL18764564HMS3656D16AKOS032960428DA-33627NCI60_009796Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl] Cyclic (35)-Disulfide
Database identifiers
- PubChem CID
- 3425
- ChEMBL
CHEMBL2130995
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 905
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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