Tuftsinyl-n-heptylamide
Basic information
- CAS
144022-55-9- Standard SMILES
CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(N)C(C)O- InChIKey
NCJBSXSAEOXFSL-QCBQRGATSA-N- Molecular formula
- C28H55N9O5
- Average molar mass
- 597.8 g/mol
- Monoisotopic mass
- 597.43261589
Overview
has no analgesic activity; very toxic; structure given in first source
Names & identifiers
- Preferred name
- Tuftsinyl-n-heptylamide
- IUPAC
- 1-[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]-N-[5-(diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
- English name
- tuftsinyl-n-heptylamide
- Molecular formula
- C28H55N9O5
- Molecular weight
- 597.79
Names & synonyms
Tuftsinyl-n-heptylamideTuftsin-n-heptylamide144022-55-9RefChem:1924821-[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]-N-[5-(diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamideDTXSID60932191L-Argininamidde, L-threonyl-L-lysyl-L-prolyl-N-heptyl-1-[N~2~-(2-Amino-1,3-dihydroxybutylidene)lysyl]-N-[5-(carbamimidoylamino)-1-(heptylimino)-1-hydroxypentan-2-yl]pyrrolidine-2-carboximidic acid1-[N~2~-(2-Amino-1,3-dihydroxybutylidene)lysyl]-N-[5-carbamimidamido-1-(heptylimino)-1-hydroxypentan-2-yl]pyrrolidine-2-carboximidic acidL-Argininamide, L-threonyl-L-lysyl-L-prolyl-N-heptyl- (9CI)
Database identifiers
- CAS
144022-55-9- PubChem CID
- 126804
- DTXSID
DTXSID60932191
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 244 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 21
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 869
Physicochemical properties
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 12.11 · 12.11±0.45(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…