Triostin C
Basic information
- CAS
10382-35-1- Standard SMILES
CC1NC(=O)C(NC(=O)c2cnc3ccccc3n2)COC(=O)C(C(C)C(C)C)N(C)C(=O)C2CSSCC(C(=O)N(C)C(C(C)C(C)C)C(=O)OCC(NC(=O)c3cnc4ccccc4n3)C(=O)NC(C)C(=O)N2C)N(C)C1=O- InChIKey
AAKHBCYMJPWUTO-UHFFFAOYSA-N- Molecular formula
- C54H70N12O12S2
- Average molar mass
- 1,143.3 g/mol
- Monoisotopic mass
- 1,142.46775806
Overview
antibiotic product from a Streptomyces S-2-210 resembling Staphylococcus aureus; RN given refers to triostin C; see also record for triostin A; structure
Names & identifiers
- Preferred name
- Triostin C
- IUPAC
- N-[2,4,12,15,17,25-hexamethyl-11,24-bis(3-methylbutan-2-yl)-3,6,10,13,16,19,23,26-octaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide
Names & synonyms
Triostin C10382-35-1DTXSID301016948RefChem:933467DTXCID101475134BRN 1071175SCHEMBL29820314
Database identifiers
- CAS
10382-35-1- PubChem CID
- 159284
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 352 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 8
- Heavy atoms
- 80
- Formal charge
- 0
- Complexity
- 2,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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