Basic information
- CAS
81444-59-9- Standard SMILES
CCC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C=O)CCCN=C(N)N- InChIKey
BFUKWVVFVGUARP-UHFFFAOYSA-N- Molecular formula
- C21H40N6O4
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.31110378
Names & identifiers
- Preferred name
- N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methyl-2-(propanoylamino)pentanamide
- IUPAC
- N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methyl-2-(propanoylamino)pentanamide
Names & synonyms
N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methyl-2-(propanoylamino)pentanamide
Database identifiers
- CAS
81444-59-9- PubChem CID
- 4941
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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