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APL180

CAT: 0931-TP2954-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2954-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
388566-97-0
Target
Apolipoprotein
Related Pathways
Metabolism
Bioactivity
APL180 (L-4F) is an apolipoprotein A-I mimetic peptide that enhances the anti-inflammatory activity of high-density lipoprotein (HDL) . It is applicable for cardiovascular disease research.
Smiles
C([C@@H](C(N[C@@H](CC1=CC=CC=C1)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC2=CC=C(O)C=C2)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC3=CC=CC=C3)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC4=CC=CC=C4)C(N)=O)=O)C)=O)CCC(O)=O)=O)CCCCN)=O)=O)CCCCN)=O)CCC(O)=O)=O)C)=O)C(C)C)=O)CCCCN)=O)CC(O)=O)=O)=O)CC5=CC=CC=C5)=O)C)=O)CCCCN)=O)=O)NC([C@H](CC(O)=O)NC(C)=O)=O)C=6C=7C(NC6)=CC=CC7
Molecular Formula
C114H156N24O28
Molecular Weight
2310.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

L-Phenylalaninamide, N-acetyl-L-alpha-aspartyl-L-tryptophyl-L-phenylalanyl-L-lysyl-L-alanyl-L-phenylalanyl-L-tyrosyl-L-alpha-aspartyl-L-lysyl-L-valyl-L-alanyl-L-alpha-glutamyl-L-lysyl-L-phenylalanyl-L-lysyl-L-alpha-glutamyl-L-alanyl-
CAS Number388566-97-0
PubChem CID16199189
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-6-aminohexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC114H156N24O28
Molecular Weight2310.6
XLogP-8
Topological Polar Surface Area856
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count32
Rotatable Bond Count75
Heavy Atom Count166
Formal Charge0
Complexity4970
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CC(=O)O)NC(=O)C
InChI
InChI=1S/C114H156N24O28/c1-64(2)96(114(166)123-67(5)98(150)125-83(48-50-93(143)144)105(157)126-80(41-23-27-53-117)104(156)133-86(57-71-33-15-9-16-34-71)107(159)128-79(40-22-26-52-116)103(155)130-82(47-49-92(141)142)102(154)122-65(3)99(151)131-84(97(119)149)55-69-29-11-7-12-30-69)138-106(158)81(42-24-28-54-118)129-113(165)91(62-95(147)148)137-110(162)88(59-73-43-45-75(140)46-44-73)134-109(161)85(56-70-31-13-8-14-32-70)132-100(152)66(4)121-101(153)78(39-21-25-51-115)127-108(160)87(58-72-35-17-10-18-36-72)135-111(163)89(60-74-63-120-77-38-20-19-37-76(74)77)136-112(164)90(61-94(145)146)124-68(6)139/h7-20,29-38,43-46,63-67,78-91,96,120,140H,21-28,39-42,47-62,115-118H2,1-6H3,(H2,119,149)(H,121,153)(H,122,154)(H,123,166)(H,124,139)(H,125,150)(H,126,157)(H,127,160)(H,128,159)(H,129,165)(H,130,155)(H,131,151)(H,132,152)(H,133,156)(H,134,161)(H,135,163)(H,136,164)(H,137,162)(H,138,158)(H,141,142)(H,143,144)(H,145,146)(H,147,148)/t65-,66-,67-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,96-/m0/s1
InChIKey
ZKKBZMXTFBAQLP-PINGPBTISA-N
Chemical Structure
2D Structure
2D structure of L-Phenylalaninamide, N-acetyl-L-alpha-aspartyl-L-tryptophyl-L-phenylalanyl-L-lysyl-L-alanyl-L-phenylalanyl-L-tyrosyl-L-alpha-aspartyl-L-lysyl-L-valyl-L-alanyl-L-alpha-glutamyl-L-lysyl-L-phenylalanyl-L-lysyl-L-alpha-glutamyl-L-alanyl-
CAS: 388566-97-0
CID: 16199189
Formula: C114H156N24O28
MW: 2310.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2310.6
XLogP3-8
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count32
Rotatable Bond Count75
Exact Mass2310.1554453
Monoisotopic Mass2309.1520904
Topological Polar Surface Area856 Ų
Heavy Atom Count166
Formal Charge0
Complexity4970
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19069647-01APL180
GTR19113344-01APL180 TFA
HY-P6365-01APL180 (TFA)

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