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Heterocyclic compounds

Cinnamycin

Also known as Ro-09-0198, CinnamycinDiscontinued

CAS 110655-58-8Formula C89H125N25O25S3Molar mass 2,041.33 g/mol
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Cinnamycin chemical structure, C89H125N25O25S3, CAS 110655-58-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
110655-58-8
Formula
C89H125N25O25S3
Molar mass
2,041.33 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Cinnamycin?

Plain description, key identifiers and synonyms

Cinnamycin is a type B lantibiotic consisting of a 19 amino acid tetracyclic polypeptide produced by Streptomyces cinnamoneus. It is a heterodetic cyclic peptide, a L-cysteine thioether, a macrocycle and a type B lantibiotic.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,4S,13S,16S,19S,22S,25S,28R,31S,37S,40S,41S,44R,47S,50S,53S,56R,65S,70S)-44-amino-37-(2-amino-2-oxoethyl)-50-(3-amino-3-oxopropyl)-4,16,22-tribenzyl-47-(3-carbamimidamidopropyl)-31-[(R)-carboxy(hydroxy)methyl]-41,70-dimethyl-2,5,8,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-octadecaoxo-25-propan-2-yl-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecazapentacyclo[38.18.9.319,56.328,53.09,13]triheptacontane-65-carboxylic acid
CAS number
110655-58-8
Molecular formula
C89H125N25O25S3
UNII
UM32RAQ8SC
InChIKey
QJDWKBINWOWJNZ-OURZNGJWSA-N
InChI
InChI=1S/C89H125N25O25S3/c1-43(2)66-84(133)109-59-41-140-40-58-79(128)108-60-42-142-45(4)68(86(135)105-55(75(124)110-66)34-48-22-12-7-13-23-48)111-76(125)54(33-47-20-10-6-11-21-47)104-82(131)61-26-17-31-114(61)65(118)38-98-72(121)53(32-46-18-8-5-9-19-46)103-78(127)57(106-80(60)129)36-95-29-15-14-24-52(87(136)137)102-85(134)67(112-77(126)56(35-63(92)116)99-64(117)37-97-83(132)69(113-81(59)130)70(119)88(138)139)44(3)141-39-49(90)71(120)100-50(25-16-30-96-89(93)94)73(122)101-51(74(123)107-58)27-28-62(91)115/h5-13,18-23,43-45,49-61,66-70,95,119H,14-17,24-42,90H2,1-4H3,(H2,91,115)(H2,92,116)(H,97,132)(H,98,121)(H,99,117)(H,100,120)(H,101,122)(H,102,134)(H,103,127)(H,104,131)(H,105,135)(H,106,129)(H,107,123)(H,108,128)(H,109,133)(H,110,124)(H,111,125)(H,112,126)(H,113,130)(H,136,137)(H,138,139)(H4,93,94,96)/t44-,45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59-,60-,61-,66-,67+,68+,69-,70+/m0/s1
Canonical SMILES
CC(C)C1NC(=O)C(Cc2ccccc2)NC(=O)C2NC(=O)C(Cc3ccccc3)NC(=O)C3CCCN3C(=O)CNC(=O)C(Cc3ccccc3)NC(=O)C3CNCCCCC(C(=O)O)NC(=O)C4NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(C(O)C(=O)O)NC(=O)C(CSCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CSC4C)C(=O)NC(CSC2C)C(=O)N3)NC1=O
Isomeric SMILES
C[C@H]1[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]3CSC[C@@H]4C(=O)N[C@@H](CS1)C(=O)N[C@@H](CNCCCC[C@H](NC(=O)[C@@H]([C@@H](SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CCC(=O)N)CCCNC(=N)N)N)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC3=O)[C@H](C(=O)O)O)CC(=O)N)C(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N2)CC6=CC=CC=C6)CC7=CC=CC=C7)C(C)C)CC8=CC=CC=C8

Synonyms

  • Ro-09-0198
  • CinnamycinDiscontinued

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
2,041.33 g/molcalc.
Exact mass
2,039.8441 Dacalc.
LogP (octanol/water)
-10.08calc.
Topological polar surface area
796 Ųcalc.
Hydrogen bond donors
27calc.
Hydrogen bond acceptors
29calc.
Rotatable bonds
19calc.
Heavy atoms
142calc.
Rings
8calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.54calc.
Formal charge
0calc.
Stereocentres
20calc.
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=C1CCSCC2NC(=O)CNC(=O)CNC(=O)CNC(=O)C3CSCC(NC(=O)CNC(=O)CN1)C(=O)NC1CSCC(NC(=O)C(Cc4ccccc4)NC(=O)C4CCCN4C(=O)CNC(=O)C(Cc4ccccc4)NC(=O)C(CNCCCCCNC2=O)NC1=O)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)N3

O=C1CCSCC2NC(=O)CNC(=O)CNC(=O)CNC(=O)C3CSCC(NC(=O)CNC(=O)CN1)C(=O)NC1CSCC(NC(=O)C(Cc4ccccc4)NC(=O)C4CCCN4C(=O)CNC(=O)C(Cc4ccccc4)NC(=O)C(CNCCCCCNC2=O)NC1=O)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)N3

8 rings, 112 atoms.

2 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.

Cinnamycin suppliers

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

Frequently asked questions

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

What is Cinnamycin?

Cinnamycin is a type B lantibiotic consisting of a 19 amino acid tetracyclic polypeptide produced by Streptomyces cinnamoneus. It is a heterodetic cyclic peptide, a L-cysteine thioether, a macrocycle and a type B lantibiotic.

What is the CAS number of Cinnamycin?

The CAS registry number of Cinnamycin is 110655-58-8.

What is the molecular formula and weight of Cinnamycin?

The molecular formula of Cinnamycin is C89H125N25O25S3 and its molar mass is 2,041.33 g/mol.

Is Cinnamycin hazardous?

No GHS hazard classification for Cinnamycin 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 Cinnamycin?

Cinnamycin 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 Cinnamycin?

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What is the price of Cinnamycin?

Suppliers quote Cinnamycin 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 Cinnamycin

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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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