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mSIRK

CAS 593267-11-9Formula C93H150N20O25Molar mass 1,948.34 g/mol
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mSIRK chemical structure, C93H150N20O25, CAS 593267-11-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
593267-11-9
Formula
C93H150N20O25
Molar mass
1,948.34 g/mol
HS code
293399
Category
Peptides

What is mSIRK?

Plain description, key identifiers and synonyms

mSIRK is a chemical substance with the molecular formula C93H150N20O25 and a molar mass of 1,948.34 g/mol. Its CAS registry number is 593267-11-9. The IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S,3S)-2-[[(2S)-3-hydroxy-2-(tetradecanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S,3S)-2-[[(2S)-3-hydroxy-2-(tetradecanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid
CAS number
593267-11-9
Molecular formula
C93H150N20O25
InChIKey
OYDDVHGMRJKOJQ-JDNWVJBKSA-N
InChI
InChI=1S/C93H150N20O25/c1-11-14-15-16-17-18-19-20-21-22-23-31-73(118)102-70(51-114)87(132)112-77(54(8)12-2)89(134)104-62(29-26-41-98-93(96)97)82(127)103-61(28-24-25-40-94)81(126)100-56(10)79(124)105-64(44-53(6)7)83(128)107-66(47-72(95)117)86(131)111-78(55(9)13-3)90(135)109-63(43-52(4)5)80(125)99-50-74(119)101-68(46-58-34-38-60(116)39-35-58)91(136)113-42-27-30-71(113)88(133)108-67(48-75(120)121)85(130)106-65(45-57-32-36-59(115)37-33-57)84(129)110-69(92(137)138)49-76(122)123/h32-39,52-56,61-71,77-78,114-116H,11-31,40-51,94H2,1-10H3,(H2,95,117)(H,99,125)(H,100,126)(H,101,119)(H,102,118)(H,103,127)(H,104,134)(H,105,124)(H,106,130)(H,107,128)(H,108,133)(H,109,135)(H,110,129)(H,111,131)(H,112,132)(H,120,121)(H,122,123)(H,137,138)(H4,96,97,98)/t54-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,77-,78-/m0/s1
Canonical SMILES
CCCCCCCCCCCCCC(=O)NC(CO)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)O)C(=O)O)C(C)CC)C(C)CC
Isomeric SMILES
CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(=O)O)C(=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
1,948.34 g/molcalc.
Exact mass
1,947.1081 Dacalc.
LogP (octanol/water)
-0.51calc.
Topological polar surface area
731.3 Ųcalc.
Hydrogen bond donors
25calc.
Hydrogen bond acceptors
24calc.
Rotatable bonds
68calc.
Heavy atoms
138calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.66calc.
Formal charge
0calc.
Stereocentres
16calc.
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(CNC(=O)C1CCCN1C(=O)CCc1ccccc1)NCCc1ccccc1

O=C(CNC(=O)C1CCCN1C(=O)CCc1ccccc1)NCCc1ccccc1

3 rings, 30 atoms.

9 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.

mSIRK suppliers

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mSIRK 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

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 mSIRK is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is mSIRK?

mSIRK is a chemical substance with the molecular formula C93H150N20O25 and a molar mass of 1,948.34 g/mol. Its CAS registry number is 593267-11-9.

What is the CAS number of mSIRK?

The CAS registry number of mSIRK is 593267-11-9.

What is the molecular formula and weight of mSIRK?

The molecular formula of mSIRK is C93H150N20O25 and its molar mass is 1,948.34 g/mol.

What is mSIRK used for?

Known uses and roles of mSIRK include corrosion inhibitors in oil, gas and lubricants.

Is mSIRK hazardous?

No GHS hazard classification for mSIRK 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 mSIRK?

mSIRK is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy mSIRK?

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

What is the price of mSIRK?

Suppliers quote mSIRK 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 mSIRK

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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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