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AF-1

CAT: 1601-CCP1874-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP1874-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Peptide to AF-1
CAS Number
130092-56-7
Structure Composition
Lys-Asn-Glu-Phe-Ile-Arg-Phe-NH2
Product Name Alternative
KNEFIRFAMIDE
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C45H69N13O10
Molecular Weight
3576.06
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

AF1 neuropeptide

amino acid sequence given in first source; isolated from the nematode Ascaris suum

CAS Number130092-56-7
PubChem CID164289
IUPAC Name(4S)-4-[[(2S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC45H69N13O10
Molecular Weight952.1
XLogP-4.1
Topological Polar Surface Area415
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count13
Rotatable Bond Count32
Heavy Atom Count68
Formal Charge0
Complexity1700
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C45H69N13O10/c1-3-26(2)37(44(68)54-30(18-12-22-52-45(50)51)40(64)55-32(38(49)62)23-27-13-6-4-7-14-27)58-43(67)33(24-28-15-8-5-9-16-28)57-41(65)31(19-20-36(60)61)53-42(66)34(25-35(48)59)56-39(63)29(47)17-10-11-21-46/h4-9,13-16,26,29-34,37H,3,10-12,17-25,46-47H2,1-2H3,(H2,48,59)(H2,49,62)(H,53,66)(H,54,68)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,60,61)(H4,50,51,52)/t26-,29-,30-,31-,32-,33-,34-,37-/m0/s1
InChIKey
QMVYYEUDJVTXIK-XCWQRLKCSA-N
Chemical Structure
2D Structure
2D structure of AF1 neuropeptide
CAS: 130092-56-7
CID: 164289
Formula: C45H69N13O10
MW: 952.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight952.1
XLogP3-4.1
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count13
Rotatable Bond Count32
Exact Mass951.52903545
Monoisotopic Mass951.52903545
Topological Polar Surface Area415 Ų
Heavy Atom Count68
Formal Charge0
Complexity1700
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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