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Bottromycin

Also known as Bottromycic A2 acid, methyl ester, I 337B, Bottromycin A2, Bottromycic A2 acid methyl ester, I-337B, MA 251C1

CAS 1393-68-6Formula C42H62N8O7SMolar mass 823.07 g/mol
1 supplier listed
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Bottromycin chemical structure, C42H62N8O7S, CAS 1393-68-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1393-68-6
Formula
C42H62N8O7S
Molar mass
823.07 g/mol
HS code
293410
Category
Peptides

What is Bottromycin?

Plain description, key identifiers and synonyms

bottromycin has been reported in Streptomyces bottropensis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 3-[[2-[[2-[(6-tert-butyl-13-methyl-2,8,11-trioxo-9-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl)amino]-3,3-dimethylbutanoyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate
CAS number
1393-68-6Other or deprecated CAS: 15005-62-6
Molecular formula
C42H62N8O7S
InChIKey
KSIZLOPUXFSFNR-UHFFFAOYSA-N
InChI
InChI=1S/C42H62N8O7S/c1-23(2)30-36(53)49-33(41(5,6)7)35(44-22-28(51)50-19-17-24(3)32(50)38(55)46-30)48-34(42(8,9)10)39(56)47-31(25(4)26-15-13-12-14-16-26)37(54)45-27(21-29(52)57-11)40-43-18-20-58-40/h12-16,18,20,23-25,27,30-34H,17,19,21-22H2,1-11H3,(H,44,48)(H,45,54)(H,46,55)(H,47,56)(H,49,53)
SMILES (canonical and isomeric)
CC1CCN2C1C(=O)NC(C(=O)NC(C(=NCC2=O)NC(C(=O)NC(C(C)C3=CC=CC=C3)C(=O)NC(CC(=O)OC)C4=NC=CS4)C(C)(C)C)C(C)(C)C)C(C)C

Synonyms

  • Bottromycic A2 acid, methyl ester
  • I 337B
  • Bottromycin A2, Bottromycic A2 acid methyl ester, I-337B, MA 251C1

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
823.07 g/molcalc.
Exact mass
822.4462 Dacalc.
LogP (octanol/water)
3.48calc.
Topological polar surface area
200.3 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
11calc.
Heavy atoms
58calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.62calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Fails (2 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, O=C1CNC(=O)C2CCCN2C(=O)CN=C(NCC(=O)NC(Cc2ccccc2)C(=O)NCc2nccs2)CN1

O=C1CNC(=O)C2CCCN2C(=O)CN=C(NCC(=O)NC(Cc2ccccc2)C(=O)NCc2nccs2)CN1

4 rings, 40 atoms.

6 other chemicals 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.

Bottromycin suppliers

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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

1 supplier in 1 country

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Bottromycin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Bottromycin 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 Bottromycin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Bottromycin?

bottromycin has been reported in Streptomyces bottropensis.

What is the CAS number of Bottromycin?

The CAS registry number of Bottromycin is 1393-68-6. Other or deprecated CAS numbers: 15005-62-6.

What is the molecular formula and weight of Bottromycin?

The molecular formula of Bottromycin is C42H62N8O7S and its molar mass is 823.07 g/mol.

Is Bottromycin hazardous?

No GHS hazard classification for Bottromycin 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 Bottromycin?

Bottromycin 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 Bottromycin?

CompoundList lists 1 supplier of Bottromycin in Japan. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Bottromycin?

Suppliers quote Bottromycin 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 Bottromycin

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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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