Neuronostatin-13 (human)
Completing data — refresh the page later to see the latest
Basic information
- CAS
1096485-24-3- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O- InChIKey
FOBROQPAHZFJIA-UZSBMYCGSA-N- Molecular formula
- C64H110N20O16
- Average molar mass
- 1,415.7 g/mol
- Monoisotopic mass
- 1,414.8408675
Names & identifiers
- Preferred name
- Neuronostatin-13 (human)
- IUPAC
- (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanediamide
- English name
- Neuronostatin-13 trifluoroacetate salt
- Molecular formula
- C64H110N20O16
- Molecular weight
- 1415.68
Names & synonyms
Neuronostatin-13 (human)1096485-24-3orb1679507SCHEMBL29599378TP1827Neuronostatin-13 trifluoroacetate saltNeuronostatin-13 humanNeuronostatin trifluoroacetate saltLeu-Arg-Gln-Phe-Leu-Gln-Lys-Ser-Leu-Ala-Ala-Ala-Ala-NH2 trifluoroacetate saltL-Alaninamide, L-leucyl-L-arginyl-L-glutaminyl-L-phenylalanyl-L-leucyl-L-glutaminyl-L-lysyl-L-seryl-L-leucyl-L-alanyl-L-alanyl-L-alanyl-L-Leucyl-L-arginyl-L-glutaminyl-L-phenylalanyl-L-leucyl-L-glutaminyl-L-lysyl-L-seryl-L-leucyl-L-alanyl-L-alanyl-L-alanyl-L-alaninamide trifluoroacetate salt
Database identifiers
- CAS
1096485-24-3- PubChem CID
- 102203604
- Nikkaji
- J3.180.163J
Properties
Computed structural propertiesFilling in
- XLogP
- -3.7
- Topological polar surface area
- 615 Ų
- Hydrogen bond donors
- 20
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 48
- Heavy atoms
- 100
- Formal charge
- 0
- Complexity
- 2,780
Physicochemical properties
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 12.9 · 12.90±0.46(Predicted)
- form
- lyophilized solid
- color
- white
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesNeuronostatin-13 (human), is a peptide of 13-amino acids encoded by the somatostatin gene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…