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Neuropeptide SF (human)

CAT: 0931-T36926Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T36926Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
192387-39-6
Target
CRFR
Related Pathways
GPCR/G Protein
Bioactivity
Neuropeptide SF (human) considerably increases the amplitude of the sustained current of heterologously expressed ASIC3 (12-fold vs. 19- and nine-fold for FMRFamide and NPFF, respectively) with an EC50 of ~50 μM.
Smiles
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Molecular Formula
C65H94N18O15
Molecular Weight
1367.578
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Neuropeptide SF (human)
CAS Number192387-39-6
PubChem CID54557339
IUPAC Name(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
Molecular FormulaC65H94N18O15
Molecular Weight1367.6
XLogP-3.2
Topological Polar Surface Area565
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count17
Rotatable Bond Count42
Heavy Atom Count98
Formal Charge0
Complexity2750
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)N
InChI
InChI=1S/C65H94N18O15/c1-36(2)31-47(81-62(96)48(33-39-17-9-5-10-18-39)80-55(89)37(3)74-57(91)43(23-26-51(67)85)75-56(90)41(66)35-84)60(94)82-49(34-40-19-11-6-12-20-40)61(95)78-45(25-28-53(69)87)64(98)83-30-14-22-50(83)63(97)77-44(24-27-52(68)86)59(93)76-42(21-13-29-73-65(71)72)58(92)79-46(54(70)88)32-38-15-7-4-8-16-38/h4-12,15-20,36-37,41-50,84H,13-14,21-35,66H2,1-3H3,(H2,67,85)(H2,68,86)(H2,69,87)(H2,70,88)(H,74,91)(H,75,90)(H,76,93)(H,77,97)(H,78,95)(H,79,92)(H,80,89)(H,81,96)(H,82,94)(H4,71,72,73)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
InChIKey
ZOCAYXQBGJIAOK-UDXVSVLKSA-N
Chemical Structure
2D Structure
2D structure of Neuropeptide SF (human)
CAS: 192387-39-6
CID: 54557339
Formula: C65H94N18O15
MW: 1367.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1367.6
XLogP3-3.2
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count17
Rotatable Bond Count42
Exact Mass1366.71460436
Monoisotopic Mass1366.71460436
Topological Polar Surface Area565 Ų
Heavy Atom Count98
Formal Charge0
Complexity2750
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes