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MTP 131 acetate

CAT: 0013-GTR19172131-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172131-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MTP 131 (acetate) is a mitochondrially-targeted tetrapeptide used in research. It is applied in studies of mitochondrial function, oxidative stress, and ischemia-reperfusion injury in both in vitro and in vivo experimental models.
CAS Number
1334953-95-5
Purity
99.90%
Smiles
C (C) (O) =O.[C@H] (CC1=C (C) C=C (O) C=C1C) (C (N[C@H] (C (N[C@@H] (CC2=CC=CC=C2) C (N) =O) =O) CCCCN) =O) NC ([C@@H] (CCCNC (=N) N) N) =O
Molecular Formula
C34H53N9O7
Molecular Weight
699.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Elamipretide Acetate
CAS Number1334953-95-5
PubChem CID163336973
IUPAC Nameacetic acid;(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hexanamide
Molecular FormulaC34H53N9O7
Molecular Weight699.8
Topological Polar Surface Area304
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Heavy Atom Count50
Formal Charge0
Complexity1020
SMILES
CC1=CC(=CC(=C1C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)N)C)O.CC(=O)O
InChI
InChI=1S/C32H49N9O5.C2H4O2/c1-19-15-22(42)16-20(2)23(19)18-27(41-29(44)24(34)11-8-14-38-32(36)37)31(46)39-25(12-6-7-13-33)30(45)40-26(28(35)43)17-21-9-4-3-5-10-21;1-2(3)4/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,45)(H,41,44)(H4,36,37,38);1H3,(H,3,4)/t24-,25+,26+,27+;/m1./s1
InChIKey
UEYRJRBULBAAEG-NFWUDPOKSA-N
Chemical Structure
2D Structure
2D structure of Elamipretide Acetate
CAS: 1334953-95-5
CID: 163336973
Formula: C34H53N9O7
MW: 699.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight699.8
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Exact Mass699.40679506
Monoisotopic Mass699.40679506
Topological Polar Surface Area304 Ų
Heavy Atom Count50
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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