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Preptin (rat)

CAT: 0931-T81406-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T81406-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
315197-73-0
Target
DNA/RNA Synthesis
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
Preptin, an osteogenic peptide derived from pancreatic beta-cells, spans amino acids Asp 69 to Leu 102 within pro-IGF-II [1].
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Asp-Val-Ser-Thr-Ser-Gln-Ala-Val-Leu-Pro-Asp-Asp-Phe-Pro-Arg-Tyr-Pro-Val-Gly-Lys-Phe-Phe-Lys-Phe-Asp-Thr-Trp-Arg-Gln-Ser-Ala-Gly-Arg-Leu-OH
CAS Number315197-73-0
PubChem CID16136119
IUPAC Name(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC181H268N48O51
Molecular Weight3932
XLogP-14.1
Topological Polar Surface Area1610
Hydrogen Bond Donor Count56
Hydrogen Bond Acceptor Count57
Rotatable Bond Count125
Heavy Atom Count280
Formal Charge0
Complexity9550
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CC9=CC=CC=C9)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)N)O
InChI
InChI=1S/C181H268N48O51/c1-91(2)73-124(217-171(272)143(94(7)8)222-148(249)97(12)200-150(251)115(61-63-134(185)236)206-165(266)129(89-231)221-174(275)146(99(14)234)226-166(267)130(90-232)220-172(273)144(95(9)10)223-149(250)108(184)81-138(240)241)175(276)227-70-37-55-132(227)168(269)213-122(83-140(244)245)161(262)211-121(82-139(242)243)162(263)216-125(78-103-45-25-18-26-46-103)176(277)228-71-36-54-131(228)167(268)207-114(53-35-69-195-181(191)192)155(256)215-126(79-104-57-59-106(235)60-58-104)177(278)229-72-38-56-133(229)169(270)224-142(93(5)6)170(271)198-87-137(239)201-110(49-29-31-65-182)151(252)208-118(76-101-41-21-16-22-42-101)158(259)210-117(75-100-39-19-15-20-40-100)157(258)203-112(50-30-32-66-183)154(255)209-119(77-102-43-23-17-24-44-102)159(260)212-123(84-141(246)247)163(264)225-145(98(13)233)173(274)214-120(80-105-85-196-109-48-28-27-47-107(105)109)160(261)204-113(52-34-68-194-180(189)190)153(254)205-116(62-64-135(186)237)156(257)219-128(88-230)164(265)199-96(11)147(248)197-86-136(238)202-111(51-33-67-193-179(187)188)152(253)218-127(178(279)280)74-92(3)4/h15-28,39-48,57-60,85,91-99,108,110-133,142-146,196,230-235H,29-38,49-56,61-84,86-90,182-184H2,1-14H3,(H2,185,236)(H2,186,237)(H,197,248)(H,198,271)(H,199,265)(H,200,251)(H,201,239)(H,202,238)(H,203,258)(H,204,261)(H,205,254)(H,206,266)(H,207,268)(H,208,252)(H,209,255)(H,210,259)(H,211,262)(H,212,260)(H,213,269)(H,214,274)(H,215,256)(H,216,263)(H,217,272)(H,218,253)(H,219,257)(H,220,273)(H,221,275)(H,222,249)(H,223,250)(H,224,270)(H,225,264)(H,226,267)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,279,280)(H4,187,188,193)(H4,189,190,194)(H4,191,192,195)/t96-,97-,98+,99+,108-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,142-,143-,144-,145-,146-/m0/s1
InChIKey
KZVPFPPBGJUVIS-LRUJDDOHSA-N
Chemical Structure
2D Structure
2D structure of H-Asp-Val-Ser-Thr-Ser-Gln-Ala-Val-Leu-Pro-Asp-Asp-Phe-Pro-Arg-Tyr-Pro-Val-Gly-Lys-Phe-Phe-Lys-Phe-Asp-Thr-Trp-Arg-Gln-Ser-Ala-Gly-Arg-Leu-OH
CAS: 315197-73-0
CID: 16136119
Formula: C181H268N48O51
MW: 3932
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3932
XLogP3-14.1
Hydrogen Bond Donor Count56
Hydrogen Bond Acceptor Count57
Rotatable Bond Count125
Exact Mass3930.9886612
Monoisotopic Mass3929.9853063
Topological Polar Surface Area1610 Ų
Heavy Atom Count280
Formal Charge0
Complexity9550
Isotope Atom Count0
Defined Atom Stereocenter Count34
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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