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Rimtoregtide

CAT: 0931-T78376-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T78376-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2251722-35-5
Bioactivity
Rimtoregtide, a polypeptide, markedly attenuates the elevations in blood amylase and lipase levels associated with acute pancreatitis, suggesting its potential utility in the research of pancreatitis and acute pancreatitis.
Smiles
C([C@@H](NC([C@H](CC1=CN=CN1)NC([C@@H](NC(CNC([C@H]([C@H](CC)C)NC(C)=O)=O)=O)CC(C)C)=O)=O)CC(O)=O)(=O)N2[C@H](C(N[C@H](C(N[C@@H](CC3=CN=CN3)C(NCC(N[C@H](C(N[C@H](C(=O)N4[C@H](C(N[C@H](C(NCC(N[C@H](C(O)=O)CO)=O)=O)C)=O)CCC4)CC(C)C)=O)[C@@H](C)O)=O)=O)=O)CO)=O)CCC2
Molecular Formula
C65H101N19O22
Molecular Weight
1500.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rimtoregtide
CAS Number2251722-35-5
PubChem CID162625091
IUPAC Name(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
Molecular FormulaC65H101N19O22
Molecular Weight1500.6
XLogP-4.7
Topological Polar Surface Area612
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count24
Rotatable Bond Count43
Heavy Atom Count106
Formal Charge0
Complexity3130
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CN=CN3)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CO)C(=O)O)NC(=O)C
InChI
InChI=1S/C65H101N19O22/c1-10-33(6)52(74-36(9)88)61(101)70-25-48(89)75-39(17-31(2)3)56(96)78-41(20-38-23-67-30-72-38)57(97)79-43(21-51(92)93)64(104)84-16-12-14-47(84)60(100)81-44(27-85)58(98)77-40(19-37-22-66-29-71-37)55(95)69-26-50(91)82-53(35(8)87)62(102)80-42(18-32(4)5)63(103)83-15-11-13-46(83)59(99)73-34(7)54(94)68-24-49(90)76-45(28-86)65(105)106/h22-23,29-35,39-47,52-53,85-87H,10-21,24-28H2,1-9H3,(H,66,71)(H,67,72)(H,68,94)(H,69,95)(H,70,101)(H,73,99)(H,74,88)(H,75,89)(H,76,90)(H,77,98)(H,78,96)(H,79,97)(H,80,102)(H,81,100)(H,82,91)(H,92,93)(H,105,106)/t33-,34-,35+,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-,53-/m0/s1
InChIKey
PAVULCXCHYUXAY-NTUCKVCISA-N
Chemical Structure
2D Structure
2D structure of Rimtoregtide
CAS: 2251722-35-5
CID: 162625091
Formula: C65H101N19O22
MW: 1500.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1500.6
XLogP3-4.7
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count24
Rotatable Bond Count43
Exact Mass1499.73685593
Monoisotopic Mass1499.73685593
Topological Polar Surface Area612 Ų
Heavy Atom Count106
Formal Charge0
Complexity3130
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5820041Rimtoregtide
A23486-5Rimtoregtide 5mg
A23486-1Rimtoregtide 1mg
A23486-10Rimtoregtide 10mg

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