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Heterocyclic compounds

Thiazomycin

CAS 905946-70-5Formula C61H58N14O18S5Molar mass 1,435.55 g/mol
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Thiazomycin chemical structure, C61H58N14O18S5, CAS 905946-70-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
905946-70-5
Formula
C61H58N14O18S5
Molar mass
1,435.55 g/mol
HS code
293410
Category
Heterocyclic compounds

What is Thiazomycin?

Plain description, key identifiers and synonyms

Thiazomycin is a heterodetic cyclic peptide isolated from Amycolatopsis fastidiosa. It has a role as an antimicrobial agent, an antibacterial agent and a bacterial metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(1S,18S,21E,28S,29S,30S)-30-[[(3aR,4S,6S,7aS)-3,4,7a-trimethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-6-yl]oxy]-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-N-(3-amino-3-oxoprop-1-en-2-yl)-1,3-thiazole-4-carboxamide
CAS number
905946-70-5
Molecular formula
C61H58N14O18S5
InChIKey
GYOHFSLEKIIJMU-UMNFMQIXSA-N
InChI
InChI=1S/C61H58N14O18S5/c1-22(48(62)78)63-49(79)31-18-97-57(68-31)42-36(77)11-27-41(70-42)30-16-95-55(65-30)29-15-90-59(84)44-28-14-88-45(46(60(85)89-13-26-9-8-10-35(38(26)28)75(44)86)93-37-12-61(5)47(25(4)92-37)74(6)21-91-61)43(58-69-32(19-98-58)50(80)64-29)73-52(82)34-20-96-56(67-34)40(24(3)87-7)72-53(83)39(23(2)76)71-51(81)33-17-94-54(27)66-33/h8-11,16-20,23,25,29,37,39,43,45-47,76-77,86H,1,12-15,21H2,2-7H3,(H2,62,78)(H,63,79)(H,64,80)(H,71,81)(H,72,83)(H,73,82)/b40-24+/t23-,25+,29+,37+,39+,43+,45+,46+,47-,61+/m1/s1
Canonical SMILES
C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)NC(C(C)O)C(=O)NC(=C(C)OC)c2nc(cs2)C(=O)NC2c4nc(cs4)C(=O)NC(COC(=O)c4c5c6c(cccc6n4O)COC(=O)C(OC4CC6(C)OCN(C)C6C(C)O4)C2OC5)c2nc-3cs2)n1)C(N)=O
Isomeric SMILES
C[C@H]1[C@@H]2[C@](C[C@@H](O1)O[C@H]3[C@@H]4[C@H]5C6=NC(=CS6)C(=O)N[C@@H](COC(=O)C7=C(CO4)C8=C(COC3=O)C=CC=C8N7O)C9=NC(=CS9)C1=NC(=C(C=C1C1=NC(=CS1)C(=O)N[C@H](C(=O)N/C(=C(\C)/OC)/C1=NC(=CS1)C(=O)N5)[C@@H](C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)N)(OCN2C)C

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
1,435.55 g/molcalc.
Exact mass
1,434.2657 Dacalc.
LogP (octanol/water)
4.26calc.
Topological polar surface area
433.5 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
30calc.
Rotatable bonds
8calc.
Heavy atoms
98calc.
Rings
13calc.
Aromatic rings
8calc.
Fraction sp3 carbons
0.34calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C=C1NC(=O)CNC(=O)c2csc(n2)-c2ccc(-c3nccs3)nc2-c2csc(n2)C2COC(=O)c3[nH]c4cccc5c4c3COC(C(OC3CC4OCNC4CO3)C(=O)OC5)C(NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2

C=C1NC(=O)CNC(=O)c2csc(n2)-c2ccc(-c3nccs3)nc2-c2csc(n2)C2COC(=O)c3[nH]c4cccc5c4c3COC(C(OC3CC4OCNC4CO3)C(=O)OC5)C(NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2

13 rings, 79 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Thiazomycin suppliers

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Thiazomycin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antibacterial agent
  • antimicrobial agent
  • bacterial metabolite
  • metabolite
  • prokaryotic metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Thiazomycin is traded under.

HS 2934.10Indicative HS code

Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…

World exports in 2024
$3.88B
−16.1% vs 2023, imports $3.12B
2019 to 2024
Top exporters
  1. Switzerland * partner reported36.4%
  2. Ireland28.8%
  3. China10.0%
Top importers
  1. Canada33.4%
  2. United States14.4%
  3. Ireland13.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Thiazomycin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Thiazomycin, based on the data on this page

What is Thiazomycin?

Thiazomycin is a heterodetic cyclic peptide isolated from Amycolatopsis fastidiosa. It has a role as an antimicrobial agent, an antibacterial agent and a bacterial metabolite.

What is the CAS number of Thiazomycin?

The CAS registry number of Thiazomycin is 905946-70-5.

What is the molecular formula and weight of Thiazomycin?

The molecular formula of Thiazomycin is C61H58N14O18S5 and its molar mass is 1,435.55 g/mol.

What is Thiazomycin used for?

Known uses and roles of Thiazomycin include antibacterial agent, antimicrobial agent, bacterial metabolite, metabolite and prokaryotic metabolite.

Is Thiazomycin hazardous?

No GHS hazard classification for Thiazomycin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Thiazomycin?

Thiazomycin is usually classified under HS code 293410 (Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thiazomycin?

Post a free request on CompoundList and suppliers of Thiazomycin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Thiazomycin?

Suppliers quote Thiazomycin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Thiazomycin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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