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Emideltide

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ACTIVE PHARMA INGREDIENTS

3 NDC API

3 NDC API

Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 62568-57-4, Dsip, Delta sleep inducing peptide, Trp-ala-gly-gly-asp-ala-ser-gly-glu, Delta sleep-inducing peptide, Dsip nonapeptide

Molecular Formula

C₃₅H₄₈N₁₀O₁₅

Molecular Weight

848.8 g/mol

InChI Key

ZRZROXNBKJAOKB-GFVHOAGBSA-N

A nonapeptide that is found in neurons, peripheral organs, and plasma. This neuropeptide induces mainly delta sleep in mammals. In addition to sleep, the peptide has been observed to affect electrophysiological activity, neurotransmitter levels in the brain, circadian and locomotor patterns, hormonal levels, psychological performance, and the activity of neuropharmacological drugs including their withdrawal.

1 2D Structure

Emideltide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanedioic acid

2.1.2 InChI

InChI=1S/C35H48N10O15/c1-16(41-32(56)20(36)9-18-11-37-21-6-4-3-5-19(18)21)30(54)39-12-25(47)38-13-26(48)44-23(10-29(52)53)34(58)42-17(2)31(55)45-24(15-46)33(57)40-14-27(49)43-22(35(59)60)7-8-28(50)51/h3-6,11,16-17,20,22-24,37,46H,7-10,12-15,36H2,1-2H3,(H,38,47)(H,39,54)(H,40,57)(H,41,56)(H,42,58)(H,43,49)(H,44,48)(H,45,55)(H,50,51)(H,52,53)(H,59,60)/t16-,17-,20-,22-,23-,24-/m0/s1

2.1.3 InChI Key

ZRZROXNBKJAOKB-GFVHOAGBSA-N

2.1.4 Canonical SMILES

CC(C(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CO)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N

2.1.5 Isomeric SMILES

C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Delta Sleep Inducing Peptide

2. Delta Sleep Peptide

3. Delta Sleep-inducing Peptide

4. Delta-sleep Peptide

5. Delta-sleep-inducing Peptide

6. Delta-sleep-inducing-peptide

7. Dsip

8. Peptide, Delta Sleep-inducing

9. Peptide, Delta-sleep

10. Peptide, Delta-sleep-inducing

11. Sleep-inducing Peptide, Delta

12. Trp Ala Gly Gly Asp Ala Ser Gly Glu

13. Trp-ala-gly-gly-asp-ala-ser-gly-glu

2.2.2 Depositor-Supplied Synonyms

1. 62568-57-4

2. Dsip

3. Delta Sleep Inducing Peptide

4. Trp-ala-gly-gly-asp-ala-ser-gly-glu

5. Delta Sleep-inducing Peptide

6. Dsip Nonapeptide

7. Emideltide [inn]

8. L-tryptophyl-l-alanylglycylglycyl-l-aspartyl-l-alanyl-l-serylglycyl-l-glutamic Acid

9. Delta Sleep-inducing Peptide (rabbit)

10. Unii-yn28z5yz73

11. Delta-sleep Inducing Peptide

12. O-sleep Inducing Peptide

13. Deltasleep-inducing Peptide

14. L-glutamic Acid, L-tryptophyl-l-alanylglycylglycyl-l-alpha-aspartyl-l-alanyl-l-serylglycyl-

15. 69431-45-4

16. L-glutamic Acid, N-(n-(n-(n-(n-(n-(n-(n-l-tryptophyl-l-alanyl)glycyl)glycyl)-l-alpha-aspartyl)-l-alanyl)-l-seryl)-glycyl)-

17. Schembl5523017

18. Yn28z5yz73

19. Chembl2104403

20. Dtxsid20978151

21. Glxc-25919

22. Hy-p1501

23. Zinc169292552

24. L-tryptophyl-l-alanylglycylglycyl-l-alpha-aspartyl-l-alanyl-l-serylglycyl-l-glutamic Acid

25. Cs-0044577

26. H-trp-ala-gly-gly-asp-ala-ser-gly-glu-oh

27. Delta-sleep Inducing Peptide Trifluoroacetate Salt

28. Q27294600

29. L-tryptophyl-l-alanyl-glycyl-glycyl-l-alpha-aspartyl-l-alanyl-l-seryl-glycyl-l-glutamic Acid

30. (2s)-2-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[2-[[2-[[(2s)-2-[[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanedioic Acid

31. (3s,9s,12s,15s)-15-(2-(2-((s)-2-((s)-2-amino-3-(1h-indol-3-yl)propanamido)propanamido)acetamido)acetamido)-9-(hydroxymethyl)-12-methyl-5,8,11,14-tetraoxo-4,7,10,13-tetraazahexadecane-1,3,16-tricarboxylic Acid

32. N-[23-amino-11-(carboxymethyl)-1,4,7,10,13,16,19,22-octahydroxy-5-(hydroxymethyl)-24-(1h-indol-3-yl)-8,20-dimethyl-3,6,9,12,15,18,21-heptaazatetracosa-3,6,9,12,15,18,21-heptaen-1-ylidene]glutamic Acid

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₅H₄₈N₁₀O₁₅
Molecular Weight	848.8 g/mol
XLogP3	-7.1
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	25
Exact Mass	848.33006086 g/mol
Monoisotopic Mass	848.33006086 g/mol
Topological Polar Surface Area	407 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1610
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Neurotransmitter Agents

Substances used for their pharmacological actions on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function. (See all compounds classified as Neurotransmitter Agents.)

NDC API