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Neuropeptide AF (human)

CAT: 0931-TP1082-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1082-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
192387-38-5
Target
Opioid Receptor
Related Pathways
Endocrinology/Hormones, GPCR/G Protein, Neuroscience
Bioactivity
Neuropeptide AF (93-110), Human is an endogenous antiopioid peptide.
Smiles
C([C@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC(CNC([C@H](C)N)=O)=O)CCC(O)=O)=O)=O)CC(C)C)=O)CC(N)=O)=O)CO)=O)CCC(N)=O)=O)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N2[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC3=CC=CC=C3)C(N)=O)=O)CCCNC(=N)N)=O)CCC(N)=O)=O)CCC2)C)=O)C)=O)CC(C)C)=O)CO)=O)C=4C=5C(NC4)=CC=CC5
Molecular Formula
C90H132N26O25
Molecular Weight
1978.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Neuropeptide AF (human)
CAS Number192387-38-5
PubChem CID90488726
IUPAC Name(4S)-5-[[2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-5-oxopentanoic acid
Molecular FormulaC90H132N26O25
Molecular Weight1978.2
XLogP-8.2
Topological Polar Surface Area840
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count27
Rotatable Bond Count62
Heavy Atom Count141
Formal Charge0
Complexity4340
SMILES
C[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N)N
InChI
InChI=1S/C90H132N26O25/c1-45(2)34-60(105-72(123)42-101-77(129)56(28-31-73(124)125)104-71(122)41-100-75(127)47(5)91)82(134)113-64(39-70(94)121)85(137)115-65(43-117)86(138)107-57(26-29-68(92)119)80(132)111-62(37-51-20-12-9-13-21-51)83(135)112-63(38-52-40-99-54-23-15-14-22-53(52)54)84(136)114-66(44-118)87(139)110-61(35-46(3)4)81(133)102-48(6)76(128)103-49(7)89(141)116-33-17-25-67(116)88(140)108-58(27-30-69(93)120)79(131)106-55(24-16-32-98-90(96)97)78(130)109-59(74(95)126)36-50-18-10-8-11-19-50/h8-15,18-23,40,45-49,55-67,99,117-118H,16-17,24-39,41-44,91H2,1-7H3,(H2,92,119)(H2,93,120)(H2,94,121)(H2,95,126)(H,100,127)(H,101,129)(H,102,133)(H,103,128)(H,104,122)(H,105,123)(H,106,131)(H,107,138)(H,108,140)(H,109,130)(H,110,139)(H,111,132)(H,112,135)(H,113,134)(H,114,136)(H,115,137)(H,124,125)(H4,96,97,98)/t47-,48-,49-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
InChIKey
DYSIROANKWMSGC-KWFINLGMSA-N
Chemical Structure
2D Structure
2D structure of Neuropeptide AF (human)
CAS: 192387-38-5
CID: 90488726
Formula: C90H132N26O25
MW: 1978.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1978.2
XLogP3-8.2
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count27
Rotatable Bond Count62
Exact Mass1976.9856938
Monoisotopic Mass1976.9856938
Topological Polar Surface Area840 Ų
Heavy Atom Count141
Formal Charge0
Complexity4340
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5797946Neuropeptide SF (human)
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