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Acetalin 1

CAT: 1601-CCP1832-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP1832-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Peptide to Acetalin 1
CAS Number
152274-65-2
Structure Composition
Ac-Arg-Phe-Met-Trp-Met-Arg-NH2
Product Name Alternative
OPIOID RECEPTOR ANTAGONIST 1
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C44H66N14O7S2
Molecular Weight
967.23
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

Acetalin-3
CAS Number152274-65-2
PubChem CID131848818
IUPAC Name(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular FormulaC42H61N11O8S2
Molecular Weight912.1
XLogP0.1
Topological Polar Surface Area369
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count11
Rotatable Bond Count27
Heavy Atom Count63
Formal Charge0
Complexity1550
SMILES
C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C)O
InChI
InChI=1S/C42H61N11O8S2/c1-24(54)35(36(43)56)53-39(59)32(17-20-63-4)50-41(61)34(22-27-23-47-29-14-9-8-13-28(27)29)52-38(58)31(16-19-62-3)49-40(60)33(21-26-11-6-5-7-12-26)51-37(57)30(48-25(2)55)15-10-18-46-42(44)45/h5-9,11-14,23-24,30-35,47,54H,10,15-22H2,1-4H3,(H2,43,56)(H,48,55)(H,49,60)(H,50,61)(H,51,57)(H,52,58)(H,53,59)(H4,44,45,46)/t24-,30+,31+,32+,33+,34+,35+/m1/s1
InChIKey
DMTZIUBOLRXDOX-NZDDJJKGSA-N
Chemical Structure
2D Structure
2D structure of Acetalin-3
CAS: 152274-65-2
CID: 131848818
Formula: C42H61N11O8S2
MW: 912.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight912.1
XLogP30.1
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count11
Rotatable Bond Count27
Exact Mass911.41460029
Monoisotopic Mass911.41460029
Topological Polar Surface Area369 Ų
Heavy Atom Count63
Formal Charge0
Complexity1550
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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TP2531-01Acetalin-3
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