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QP5

CAT: 0931-TP3846-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3846-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1501983-51-2
Target
Others
Related Pathways
Others
Bioactivity
QP5 is an Amelogenin-derived peptide. It can bind to hydroxyapatite and demineralized enamel surfaces, temporarily stabilize amorphous calcium phosphate (ACP), control the crystallization of hydroxyapatite, and facilitate the remineralization of carious lesions. QP5 promotes remineralization in rat caries models and can be used for studying oral diseases such as dental caries.
Smiles
C(N[C@@H](CC1=CN=CN1)C(N[C@H](C(=O)N2[C@H](C(N[C@H](C(N[C@H](C(=O)N3[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](C(N[C@H](C(N[C@@H](CC(O)=O)C(O)=O)=O)[C@H](C)C)=O)CCC(O)=O)=O)CCC(O)=O)=O)CCCNC(=N)N)=O)CCCCN)=O)[C@@H](C)O)=O)CCC(N)=O)=O)CCC3)CCC(N)=O)=O)CCSC)=O)CCC2)CCC(N)=O)=O)(=O)[C@H]4N(C([C@@H](NC([C@@H](NC(=O)[C@H]5N(C([C@@H](NC([C@@H](NC(=O)[C@H]6N(C([C@H](CCC(N)=O)N)=O)CCC6)CC7=CC=C(O)C=C7)=O)CCC(N)=O)=O)CCC5)C(C)C)=O)CCC(N)=O)=O)CCC4
Molecular Formula
C115H178N34O37S
Molecular Weight
2660.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Gln-Pro-Tyr-Gln-Pro-Val-Gln-Pro-His-Gln-Pro-Met-Gln-Pro-Gln-Thr-Lys-Arg-Glu-Glu-Val-Asp-OH
CAS Number1501983-51-2
PubChem CID178203529
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
Molecular FormulaC115H178N34O37S
Molecular Weight2660.9
XLogP-16.1
Topological Polar Surface Area1180
Hydrogen Bond Donor Count34
Hydrogen Bond Acceptor Count42
Rotatable Bond Count83
Heavy Atom Count187
Formal Charge0
Complexity6230
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCC(=O)N)N)O
InChI
InChI=1S/C115H178N34O37S/c1-56(2)90(107(178)141-75(114(185)186)53-89(162)163)142-97(168)67(33-41-88(160)161)131-95(166)66(32-40-87(158)159)130-94(165)64(16-9-44-127-115(124)125)129-93(164)63(15-7-8-43-116)134-108(179)92(58(5)150)144-98(169)65(27-35-82(119)153)132-101(172)77-18-11-46-146(77)110(181)69(28-36-83(120)154)135-96(167)68(42-50-187-6)133-102(173)78-19-12-47-147(78)111(182)71(30-38-85(122)156)137-100(171)74(52-60-54-126-55-128-60)140-104(175)79-20-13-48-148(79)113(184)72(31-39-86(123)157)138-106(177)91(57(3)4)143-105(176)80-21-14-49-149(80)112(183)70(29-37-84(121)155)136-99(170)73(51-59-22-24-61(151)25-23-59)139-103(174)76-17-10-45-145(76)109(180)62(117)26-34-81(118)152/h22-25,54-58,62-80,90-92,150-151H,7-21,26-53,116-117H2,1-6H3,(H2,118,152)(H2,119,153)(H2,120,154)(H2,121,155)(H2,122,156)(H2,123,157)(H,126,128)(H,129,164)(H,130,165)(H,131,166)(H,132,172)(H,133,173)(H,134,179)(H,135,167)(H,136,170)(H,137,171)(H,138,177)(H,139,174)(H,140,175)(H,141,178)(H,142,168)(H,143,176)(H,144,169)(H,158,159)(H,160,161)(H,162,163)(H,185,186)(H4,124,125,127)/t58-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,90+,91+,92+/m1/s1
InChIKey
QMUZFRXMFUMIGT-ZLXROSFPSA-N
Chemical Structure
2D Structure
2D structure of H-Gln-Pro-Tyr-Gln-Pro-Val-Gln-Pro-His-Gln-Pro-Met-Gln-Pro-Gln-Thr-Lys-Arg-Glu-Glu-Val-Asp-OH
CAS: 1501983-51-2
CID: 178203529
Formula: C115H178N34O37S
MW: 2660.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2660.9
XLogP3-16.1
Hydrogen Bond Donor Count34
Hydrogen Bond Acceptor Count42
Rotatable Bond Count83
Exact Mass2660.2846387
Monoisotopic Mass2659.2812839
Topological Polar Surface Area1180 Ų
Heavy Atom Count187
Formal Charge0
Complexity6230
Isotope Atom Count0
Defined Atom Stereocenter Count23
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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