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Ranakinin

CAT: 0013-GTR19209070-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209070-03Size:100 mg
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Description
Ranakinin is a tachykinin receptor agonist derived from the brain of the frog Rana ridibunda. This research peptide is used in pharmacological studies to investigate tachykinin receptor signaling and function in both in vitro and in vivo experimental models.
CAS Number
139446-71-2
Smiles
C ([C@@H] (NC (=O) [C@H]1N (C ([C@H] (CCCCN) N) =O) CCC1) CC (N) =O) (=O) N2[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@@H] (CC3=CC=CC=C3) C (N[C@@H] (CC4=CC=C (O) C=C4) C (NCC (N[C@H] (C (N[C@@H] (CCSC) C (N) =O) =O) CC (C) C) =O) =O) =O) =O) CCCNC (=N) N) =O) CCC (O) =O) =O) CCC2
Molecular Formula
C62H95N17O15S
Molecular Weight
1350.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ranakinin

a novel tachykinin receptor agonist; from the brain of frog, Rana ridibunda

CAS Number139446-71-2
PubChem CID3081850
IUPAC Name(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
Molecular FormulaC62H95N17O15S
Molecular Weight1350.6
XLogP-4.7
Topological Polar Surface Area559
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count19
Rotatable Bond Count41
Heavy Atom Count95
Formal Charge0
Complexity2640
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)C3CCCN3C(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)N
InChI
InChI=1S/C62H95N17O15S/c1-35(2)30-43(56(89)72-40(52(66)85)24-29-95-3)71-50(82)34-70-53(86)44(32-37-18-20-38(80)21-19-37)75-57(90)45(31-36-12-5-4-6-13-36)76-54(87)41(15-9-26-69-62(67)68)73-55(88)42(22-23-51(83)84)74-58(91)48-17-11-28-79(48)61(94)46(33-49(65)81)77-59(92)47-16-10-27-78(47)60(93)39(64)14-7-8-25-63/h4-6,12-13,18-21,35,39-48,80H,7-11,14-17,22-34,63-64H2,1-3H3,(H2,65,81)(H2,66,85)(H,70,86)(H,71,82)(H,72,89)(H,73,88)(H,74,91)(H,75,90)(H,76,87)(H,77,92)(H,83,84)(H4,67,68,69)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48?/m0/s1
InChIKey
YTZYDDAKFLJJQR-MYBMXRGGSA-N
Chemical Structure
2D Structure
2D structure of Ranakinin
CAS: 139446-71-2
CID: 3081850
Formula: C62H95N17O15S
MW: 1350.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1350.6
XLogP3-4.7
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count19
Rotatable Bond Count41
Exact Mass1349.69142656
Monoisotopic Mass1349.69142656
Topological Polar Surface Area559 Ų
Heavy Atom Count95
Formal Charge0
Complexity2640
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS658979-01Ranakinin
MBS1217790-01Recombinant Pelophylax ridibundus Ranakinin
MBS1194079-01Recombinant Rana nigrovittata Ranakinin-N

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