Ranakinin
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Basic information
- CAS
139446-71-2- Standard SMILES
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)C1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(N)=O- InChIKey
YTZYDDAKFLJJQR-BHEJXMHWSA-N- Molecular formula
- C62H95N17O15S
- Average molar mass
- 1,350.6 g/mol
- Monoisotopic mass
- 1,349.69142656
Overview
a novel tachykinin receptor agonist; from the brain of frog, Rana ridibunda
Names & identifiers
- Preferred name
- Ranakinin
- IUPAC
- (4S)-4-[[1-[(2S)-4-amino-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
- English name
- RANAKININ
- Molecular formula
- C62H95N17O15S
- Molecular weight
- 1350.59
Names & synonyms
RanakininLys-pro-asn-pro-glu-arg-phe-tyr-gly-leu-met-NH2139446-71-2RefChem:178618KPNPERFYGLM-NH2H-LYS-PRO-ASN-PRO-GLU-ARG-PHE-TYR-GLY-LEU-MET-NH2L-Methioninamide, L-lysyl-L-prolyl-L-asparaginyl-L-prolyl-L-α-glutamyl-L-arginyl-L-phenylalanyl-L-tyrosylglycyl-L-leucyl-
Database identifiers
- CAS
139446-71-2- PubChem CID
- 3081850
Properties
Computed structural propertiesFilling in
- XLogP
- -4.7
- Topological polar surface area
- 559 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 41
- Heavy atoms
- 95
- Formal charge
- 0
- Complexity
- 2,640
Physicochemical properties
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 4.44 · 4.44±0.10(Predicted)
- WGK Germany
- 3 · 3
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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