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Kassinin

CAT: 1410-M30436-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Kassinin is a peptide derived from the Kassina frog. It belongs to tachykinin family of neuropeptides.
CAS Number
63968-82-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1334.54
Molecular Formula
C59H95N15O18S
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Kassinin

kassinin has been reported in Kassina senegalensis with data available.

CAS Number63968-82-1
PubChem CID45749
IUPAC Name3-amino-4-[[1-[2-[[6-amino-1-[[1-[[1-[[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC59H95N15O18S
Molecular Weight1334.5
XLogP-7.5
Topological Polar Surface Area570
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count21
Rotatable Bond Count43
Heavy Atom Count93
Formal Charge0
Complexity2590
SMILES
CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(CC(=O)O)N
InChI
InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)
InChIKey
NXTPETCPVNEEOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kassinin
CAS: 63968-82-1
CID: 45749
Formula: C59H95N15O18S
MW: 1334.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1334.5
XLogP3-7.5
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count21
Rotatable Bond Count43
Exact Mass1333.67002241
Monoisotopic Mass1333.67002241
Topological Polar Surface Area570 Ų
Heavy Atom Count93
Formal Charge0
Complexity2590
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count11
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
H-2090.0005Kassinin
K0105-01Kassinin, Entero
H-9330.0005Entero-Kassinin
PE-52264-01Kassinin Peptide

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