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Heterocyclic compounds

Micrococcin

Also known as (E,2S,3R,4R)-2-amino-3-hydroxy-4-methyl-oct-6-enoic acid

CAS 1392-45-6Formula C48H49N13O9S6Molar mass 1,144.40 g/mol
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Micrococcin chemical structure, C48H49N13O9S6, CAS 1392-45-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1392-45-6
Formula
C48H49N13O9S6
Molar mass
1,144.40 g/mol
HS code
293410
Category
Heterocyclic compounds

What is Micrococcin?

Plain description, key identifiers and synonyms

Micrococcin is a lactam and an azamacrocycle.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[2-[(12S,19R,26Z,29S)-26-ethylidene-12,29-bis[(1R)-1-hydroxyethyl]-14,21,28,31-tetraoxo-19-propan-2-yl-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl]-N-[(Z)-1-[[(2S)-2-hydroxypropyl]amino]-1-oxobut-2-en-2-yl]-1,3-thiazole-4-carboxamide
CAS number
1392-45-6
Molecular formula
C48H49N13O9S6
InChIKey
MQGFYNRGFWXAKA-GXSYYHJRSA-N
InChI
InChI=1S/C48H49N13O9S6/c1-8-24(37(65)49-12-20(5)62)51-38(66)28-15-73-46(56-28)32-18-74-45(58-32)26-11-10-23-36(50-26)27-13-75-48(53-27)35(22(7)64)61-41(69)31-17-76-47(57-31)33(19(3)4)59-39(67)30-16-72-44(55-30)25(9-2)52-42(70)34(21(6)63)60-40(68)29-14-71-43(23)54-29/h8-11,13-22,33-35,62-64H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b24-8-,25-9-/t20-,21+,22+,33+,34-,35-/m0/s1
Canonical SMILES
CC=C(NC(=O)c1csc(-c2csc(-c3ccc4c(n3)-c3csc(n3)C(C(C)O)NC(=O)c3csc(n3)C(C(C)C)NC(=O)c3csc(n3)C(=CC)NC(=O)C(C(C)O)NC(=O)c3csc-4n3)n2)n1)C(=O)NCC(C)O
Isomeric SMILES
C/C=C\1/C2=NC(=CS2)C(=O)N[C@@H](C3=NC(=CS3)C(=O)N[C@H](C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C7=NC(=CS7)C(=O)N/C(=C\C)/C(=O)NC[C@H](C)O)C8=NC(=CS8)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)[C@@H](C)O)C(C)C

Synonyms

  • (E,2S,3R,4R)-2-amino-3-hydroxy-4-methyl-oct-6-enoic acid

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
1,144.40 g/molcalc.
Exact mass
1,143.21 Dacalc.
LogP (octanol/water)
5.57calc.
Topological polar surface area
325.5 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
22calc.
Rotatable bonds
10calc.
Heavy atoms
76calc.
Rings
8calc.
Aromatic rings
7calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Fails (4 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(-c3nc(-c4nccs4)cs3)nc2-c2csc(n2)CNC(=O)c2csc(n2)CNC(=O)c2csc1n2

C=C1NC(=O)CNC(=O)c2csc(n2)-c2ccc(-c3nc(-c4nccs4)cs3)nc2-c2csc(n2)CNC(=O)c2csc(n2)CNC(=O)c2csc1n2

8 rings, 53 atoms.

8 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.

Micrococcin suppliers

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Micrococcin 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

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

Frequently asked questions

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

What is Micrococcin?

Micrococcin is a lactam and an azamacrocycle.

What is the CAS number of Micrococcin?

The CAS registry number of Micrococcin is 1392-45-6.

What is the molecular formula and weight of Micrococcin?

The molecular formula of Micrococcin is C48H49N13O9S6 and its molar mass is 1,144.40 g/mol.

Is Micrococcin hazardous?

No GHS hazard classification for Micrococcin 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 Micrococcin?

Micrococcin 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 Micrococcin?

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What is the price of Micrococcin?

Suppliers quote Micrococcin 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 Micrococcin

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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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