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SS-31

CAT: 1289-O007-12Size: 12 mgDry Ice: NoHazardous: No
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CAT#:1289-O007-12Size:12 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
736992-21-5
Shipping Conditions
Ice Packs or Room Temperature

Chemical Information

Elamipretide

Elamipretide is an oligopeptide.

CAS Number736992-21-5
PubChem CID11764719
IUPAC Name(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 FormulaC32H49N9O5
Molecular Weight639.8
XLogP0
Topological Polar Surface Area267
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count46
Formal Charge0
Complexity990
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
InChI
InChI=1S/C32H49N9O5/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/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)/t24-,25+,26+,27+/m1/s1
InChIKey
SFVLTCAESLKEHH-WKAQUBQDSA-N
Chemical Structure
2D Structure
2D structure of Elamipretide
CAS: 736992-21-5
CID: 11764719
Formula: C32H49N9O5
MW: 639.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.8
XLogP30
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass639.38566570
Monoisotopic Mass639.38566570
Topological Polar Surface Area267 Ų
Heavy Atom Count46
Formal Charge0
Complexity990
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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