Basic information
- CAS
117255-12-6- Standard SMILES
C[N+](C)(CCCCC(N)C(=O)NCCCCCNC(=O)C(CC(N)=O)NC(=O)Cc1c[nH]c2ccccc12)CCCNC(=O)C(N)CCCN=C(N)N- InChIKey
UNHFNVOAPLSORH-UHFFFAOYSA-O- Molecular formula
- C36H63N12O5+
- Average molar mass
- 744 g/mol
- Monoisotopic mass
- 743.50443816
Names & identifiers
- Preferred name
- Pseudoargiopinin I
- IUPAC
- [5-amino-6-[5-[[4-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-4-oxobutanoyl]amino]pentylamino]-6-oxohexyl]-[3-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propyl]-dimethylazanium
Names & synonyms
Pseudoargiopinin I117255-12-61-Hexanaminium, 5-amino-N-(3-((2-amino-5-((aminoiminomethyl)amino)-1-oxopentyl)amino)propyl)-6-((5-((4-amino-2-((1H-indol-3-ylacetyl)amino)-1,4-dioxobutyl)amino)pentyl)amino)-N,N-dimethyl-6-oxo-RefChem:176901DTXSID00922379C200965-Amino-N-(3-{[2-amino-5-(carbamimidoylamino)-1-hydroxypentylidene]amino}propyl)-6-({5-[(1,4-dihydroxy-2-{[1-hydroxy-2-(1H-indol-3-yl)ethylidene]amino}-4-iminobutylidene)amino]pentyl}imino)-6-hydroxy-N,N-dimethylhexan-1-aminium5-Amino-N-{3-[(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]propyl}-6-({5-[(1,4-dihydroxy-2-{[1-hydroxy-2-(1H-indol-3-yl)ethylidene]amino}-4-iminobutylidene)amino]pentyl}imino)-6-hydroxy-N,N-dimethylhexan-1-aminium
Database identifiers
- CAS
117255-12-6- PubChem CID
- 189486
- DTXSID
DTXSID00922379
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 292 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 27
- Heavy atoms
- 53
- Formal charge
- 1
- Complexity
- 1,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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