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Suanfarma Suanfarma

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Technical details about Tyrothricin, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Bactratycin, Dermotricine, Hydrotricine, Coltirot, Martricin, Ginotricina
Molecular Formula
C65H85N11O13
Molecular Weight
1228.4  g/mol
InChI Key
NLJVXZFCYKWXLH-DXTIXLATSA-N

A polypeptide antibiotic mixture obtained from Bacillus brevis. It consists of a mixture of three tyrocidines (60%) and several gramicidins (20%) and is very toxic to blood, liver, kidneys, meninges, and the olfactory apparatus. It is used topically.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[(3R,6S,9S,12S,15S,17S,20S,22R,25S,28S)-20-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-3,22,25-tribenzyl-15-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11,14,18,21,24,27-nonaoxo-12-propan-2-yl-1,4,7,10,13,16,19,23,26-nonazabicyclo[26.3.0]hentriacontan-17-yl]propanoic acid
2.1.2 InChI
InChI=1S/C65H85N11O13/c1-38(2)32-49-60(84)74-52(36-42-20-12-7-13-21-42)65(89)76-31-15-23-53(76)63(87)73-51(34-41-18-10-6-11-19-41)61(85)70-47(33-40-16-8-5-9-17-40)57(81)48(37-54(67)78)71-59(83)46(28-29-55(79)80)68-50(35-43-24-26-44(77)27-25-43)62(86)75-56(39(3)4)64(88)69-45(22-14-30-66)58(82)72-49/h5-13,16-21,24-27,38-39,45-53,56,68,77H,14-15,22-23,28-37,66H2,1-4H3,(H2,67,78)(H,69,88)(H,70,85)(H,71,83)(H,72,82)(H,73,87)(H,74,84)(H,75,86)(H,79,80)/t45-,46-,47+,48-,49-,50-,51-,52+,53-,56-/m0/s1
2.1.3 InChI Key
NLJVXZFCYKWXLH-DXTIXLATSA-N
2.1.4 Canonical SMILES
CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)C(NC(=O)C(NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)O)CC(=O)N)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6
2.1.5 Isomeric SMILES
CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)[C@@H](NC(=O)[C@@H](N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)O)CC(=O)N)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Codtricine

2. Dermotricine

3. Hydrotricine

4. Martricin

5. Tyroderm

6. Tyrosur

2.2.2 Depositor-Supplied Synonyms

1. Bactratycin

2. Dermotricine

3. Hydrotricine

4. Coltirot

5. Martricin

6. Ginotricina

7. Pharothricetten

8. Rinotricina

9. Solutricine

10. Tirotricina

11. Tyrothricine

12. Tyrothricinum

13. Biothricin

14. Triciderm

15. Tyroderm

16. Tyrosur

17. Tyrozets

18. Tyrex

19. Dubos Crude Crystals

20. Intraderm Tyrothricin

21. Caswell No. 900a

22. Tyri 10

23. Tirotricina [inn-spanish]

24. Tyrothricine [inn-french]

25. Tyrothricinum [inn-latin]

26. Einecs 215-771-0

27. Epa Pesticide Chemical Code 006311

28. Gramicidin A & Tyrocidine A

29. Tyrothricin [usp:inn:ban]

30. Unii-877376v2xw

31. Chembl577736

32. Schembl23370285

33. 877376v2xw

34. Nsc 757363

35. An Antibacterial Substance Produced By The Growth Of Bacillus Brevis Dubos (fam. Bacteriaceae)

36. 3-[(3r,6s,9s,12s,15s,17s,20s,22r,25s,28s)-20-(2-amino-2-oxo-ethyl)-9-(3-aminopropyl)-3,22,25-tribenzyl-15-[(4-hydroxyphenyl)methyl]-6-isobutyl-12-isopropyl-2,5,8,11,14,18,21,24,27-nonaoxo-1,4,7,10,13,16,19,23,26-nonazabicyclo[26.3.0]hentriacontan-17-yl]propanoic Acid

37. Cyclic (-val-orn-leu-d-phe-pro-phe-d-phe-asn-glu-tyr-) Tyrocidine A & (hco-val-gly-ala-d-leu-ala-d-val-val-d-val-trp-d-leu-trp-d-leu-trp-d-leu-trp-nhch2ch2oh, Ile-gly-ala-d-leu-ala-d-val-val-d-val-trp-d-leu-trp-d-leu-trp-d-leu-trp-nhch2ch2oh) Gramicidin A

2.3 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 1228.4 g/mol
Molecular Formula C65H85N11O13
XLogP31.9
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count19
Exact Mass1227.63283181 g/mol
Monoisotopic Mass1227.63283181 g/mol
Topological Polar Surface Area380 Ų
Heavy Atom Count89
Formal Charge0
Complexity2390
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Infective Agents, Local

Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)


Anti-Bacterial Agents

Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)


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