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Adipokinetic Hormone

CAT: 0024-sc-481771Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-481771Size:10 mg
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CAS Number
129536-34-1

Chemical Information

Adipokinetic HorMone (Libellula Auripennis)
CAS Number129536-34-1
PubChem CID139025012
IUPAC Name(2S)-N-[(2R)-1-[[(2S,3R)-1-[2-[[1-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]butanediamide
Molecular FormulaC46H61N11O12
Molecular Weight960.0
XLogP-1.8
Topological Polar Surface Area366
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count12
Rotatable Bond Count23
Heavy Atom Count69
Formal Charge0
Complexity1900
SMILES
C[C@H]([C@@H](C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H]5CCC(=O)N5)O
InChI
InChI=1S/C46H61N11O12/c1-23(2)37(55-40(63)29-15-16-36(61)50-29)45(68)53-32(20-35(47)60)41(64)52-31(18-25-10-5-4-6-11-25)42(65)56-38(24(3)59)46(69)57-17-9-14-34(57)44(67)54-33(22-58)43(66)51-30(39(48)62)19-26-21-49-28-13-8-7-12-27(26)28/h4-8,10-13,21,23-24,29-34,37-38,49,58-59H,9,14-20,22H2,1-3H3,(H2,47,60)(H2,48,62)(H,50,61)(H,51,66)(H,52,64)(H,53,68)(H,54,67)(H,55,63)(H,56,65)/t24-,29-,30?,31-,32+,33?,34?,37+,38+/m1/s1
InChIKey
KNYYPYIKSOXJOI-GWSSAINSSA-N
Chemical Structure
2D Structure
2D structure of Adipokinetic HorMone (Libellula Auripennis)
CAS: 129536-34-1
CID: 139025012
Formula: C46H61N11O12
MW: 960.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight960.0
XLogP3-1.8
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count12
Rotatable Bond Count23
Exact Mass959.45011642
Monoisotopic Mass959.45011642
Topological Polar Surface Area366 Ų
Heavy Atom Count69
Formal Charge0
Complexity1900
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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