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Heterocyclic compounds

Micropeptin HH978

CAS 1440802-18-5Formula C49H70N8O13Molar mass 979.14 g/mol
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Micropeptin HH978 chemical structure, C49H70N8O13, CAS 1440802-18-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1440802-18-5
Formula
C49H70N8O13
Molar mass
979.14 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Micropeptin HH978?

Plain description, key identifiers and synonyms

Micropeptin HH978 is a cyclodepsipeptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]butanediamide
CAS number
1440802-18-5
Molecular formula
C49H70N8O13
InChIKey
IRVJVPYNSVRRCE-VQLNKVTQSA-N
InChI
InChI=1S/C49H70N8O13/c1-25(2)20-33-42(62)51-32-18-19-39(61)57(47(32)67)36(21-26(3)4)48(68)56(8)35(22-29-12-10-9-11-13-29)44(64)54-40(27(5)6)49(69)70-28(7)41(46(66)53-33)55-43(63)34(24-38(50)60)52-45(65)37(59)23-30-14-16-31(58)17-15-30/h9-17,25-28,32-37,39-41,58-59,61H,18-24H2,1-8H3,(H2,50,60)(H,51,62)(H,52,65)(H,53,66)(H,54,64)(H,55,63)/t28-,32+,33+,34+,35+,36+,37-,39-,40+,41+/m1/s1
Canonical SMILES
CC(C)CC1NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(O)Cc2ccc(O)cc2)C(C)OC(=O)C(C(C)C)NC(=O)C(Cc2ccccc2)N(C)C(=O)C(CC(C)C)N2C(=O)C(CCC2O)NC1=O
Isomeric SMILES
C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O1)C(C)C)CC3=CC=CC=C3)C)CC(C)C)O)CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CC4=CC=C(C=C4)O)O

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
979.14 g/molcalc.
Exact mass
978.5062 Dacalc.
LogP (octanol/water)
-0.33calc.
Topological polar surface area
316.2 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
15calc.
Heavy atoms
70calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.57calc.
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, O=C(CCc1ccccc1)NCC(=O)NC1COC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN2CCCC(NC(=O)CNC1=O)C2=O

O=C(CCc1ccccc1)NCC(=O)NC1COC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN2CCCC(NC(=O)CNC1=O)C2=O

4 rings, 50 atoms.

3 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.

Micropeptin HH978 suppliers

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Micropeptin HH978 price

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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 Micropeptin HH978 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Micropeptin HH978 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Micropeptin HH978, based on the data on this page

What is Micropeptin HH978?

Micropeptin HH978 is a cyclodepsipeptide.

What is the CAS number of Micropeptin HH978?

The CAS registry number of Micropeptin HH978 is 1440802-18-5.

What is the molecular formula and weight of Micropeptin HH978?

The molecular formula of Micropeptin HH978 is C49H70N8O13 and its molar mass is 979.14 g/mol.

Is Micropeptin HH978 hazardous?

No GHS hazard classification for Micropeptin HH978 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 Micropeptin HH978?

Micropeptin HH978 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Micropeptin HH978?

Post a free request on CompoundList and suppliers of Micropeptin HH978 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Micropeptin HH978?

Suppliers quote Micropeptin HH978 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

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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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