Argiopinin III
Basic information
- CAS
117306-99-7- Standard SMILES
NC(=O)CC(NC(=O)Cc1c[nH]c2cccc(O)c12)C(=O)NCCCCCNCCCNCCCNC(=O)C(N)CCCN=C(N)N- InChIKey
ONYMEUPDKAAGRV-UHFFFAOYSA-N- Molecular formula
- C31H53N11O5
- Average molar mass
- 659.8 g/mol
- Monoisotopic mass
- 659.42311383
Names & identifiers
- Preferred name
- Argiopinin III
- IUPAC
- N-[5-[3-[3-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propylamino]propylamino]pentyl]-2-[[2-(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide
Names & synonyms
Argiopinin III117306-99-7RefChem:113946N-[5-[3-[3-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propylamino]propylamino]pentyl]-2-[[2-(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamideC20095Butanediamide, N1-(16,21-diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl)-2-(((4-hydroxy-1H-indol-3-yl)acetyl)amino)-
Database identifiers
- CAS
117306-99-7- PubChem CID
- 189488
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 281 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 25
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 982
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Compound notes
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