Bis(3-amino)triostin A
Basic information
- CAS
85502-71-2- Standard SMILES
CC1NC(=O)C(NC(=O)c2nc3ccccc3nc2N)COC(=O)C(C(C)C)N(C)C(=O)C2CSSCC(C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c3nc4ccccc4nc3N)C(=O)NC(C)C(=O)N2C)N(C)C1=O- InChIKey
SRJRNFRLRQNCBB-UHFFFAOYSA-N- Molecular formula
- C50H64N14O12S2
- Average molar mass
- 1,117.3 g/mol
- Monoisotopic mass
- 1,116.42695588
Names & identifiers
- Preferred name
- Bis(3-amino)triostin A
- IUPAC
- 3-amino-N-[20-[(3-aminoquinoxaline-2-carbonyl)amino]-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide
Names & synonyms
Bis(3-amino)triostin A85502-71-2Triostin A, 1-(N-((3-amino-2-quinoxalinyl)carbonyl)-D-serine)-5-(N-((3-amino-2-quinoxalinyl)carbonyl)-D-serine)-
Database identifiers
- CAS
85502-71-2- PubChem CID
- 174471
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 404 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 6
- Heavy atoms
- 78
- Formal charge
- 0
- Complexity
- 2,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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