Ranakinin

CAT: 0931-T70781-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T70781-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

139446-71-2

Target

Others

Related Pathways

Others

Bioactivity

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

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ranakinin

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

CAS Number	139446-71-2
PubChem CID	3081850
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 Formula	C62H95N17O15S
Molecular Weight	1350.6
XLogP	-4.7
Topological Polar Surface Area	559
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	41
Heavy Atom Count	95
Formal Charge	0
Complexity	2640

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

CAS: 139446-71-2

CID: 3081850

Formula: C62H95N17O15S

MW: 1350.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1350.6
XLogP3	-4.7
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	41
Exact Mass	1349.69142656
Monoisotopic Mass	1349.69142656
Topological Polar Surface Area	559 Å²
Heavy Atom Count	95
Formal Charge	0
Complexity	2640
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

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

Ranakinin

Chemical Information

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