CompoundList
Sign in
Heterocyclic compounds

Siomycin D1

Also known as Siomycin A, 1-(N-(2-carboxy-7,8-dihydro-8-hydroxy-4-(hydroxymethyl)-7-quinolinyl)-L-valine)-

CAS 61419-61-2Formula C70H79N19O18S5Molar mass 1,634.85 g/mol
Get quotes Safety data
Siomycin D1 chemical structure, C70H79N19O18S5, CAS 61419-61-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
61419-61-2
Formula
C70H79N19O18S5
Molar mass
1,634.85 g/mol
HS code
293410
Category
Heterocyclic compounds

What is Siomycin D1?

Plain description, key identifiers and synonyms

Siomycin D1 is a cyclic peptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-2-[(1R,8S,11Z,15R,18R,25R,26S,35R,37R,46R,53S,59S)-18-[(2R,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1S)-1-hydroxyethyl]-31-(hydroxymethyl)-26,46-dimethyl-40,43-dimethylidene-6,9,16,23,28,38,41,44,47-nonaoxo-37-propan-2-yl-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carboxamide
CAS number
61419-61-2
Molecular formula
C70H79N19O18S5
InChIKey
GZXVYCZTRLJOKW-MTDZEBIFSA-N
InChI
InChI=1S/C70H79N19O18S5/c1-13-36-63-82-43(22-108-63)60(102)88-51(69(12,106)33(11)92)66-84-42(23-111-66)58(100)87-47-32(10)107-67(105)39-18-34(19-90)35-14-15-37(49(93)48(35)78-39)77-45(25(2)3)61(103)76-29(7)55(97)73-27(5)54(96)74-30(8)56(98)89-70(68-85-44(24-112-68)59(101)86-46(31(9)91)62(104)80-36)17-16-38(79-50(70)40-20-110-65(47)81-40)64-83-41(21-109-64)57(99)75-28(6)53(95)72-26(4)52(71)94/h13-15,18,20-21,23-25,30-33,37,43,45-47,49-51,77,90-93,106H,4-7,16-17,19,22H2,1-3,8-12H3,(H2,71,94)(H,72,95)(H,73,97)(H,74,96)(H,75,99)(H,76,103)(H,80,104)(H,86,101)(H,87,100)(H,88,102)(H,89,98)/b36-13-/t30-,31+,32+,33+,37-,43+,45-,46+,47-,49+,50-,51+,69+,70-/m1/s1
Canonical SMILES
C=C(NC(=O)C(=C)NC(=O)c1csc(C2=NC3c4csc(n4)C4NC(=O)c5csc(n5)C(C(C)(O)C(C)O)NC(=O)C5CSC(=N5)C(=CC)NC(=O)C(C(C)O)NC(=O)c5csc(n5)C3(CC2)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(=C)NC(=O)C(C(C)C)NC2C=Cc3c(CO)cc(nc3C2O)C(=O)OC4C)n1)C(N)=O
Isomeric SMILES
C/C=C\1/C2=N[C@@H](CS2)C(=O)N[C@@H](C3=NC(=CS3)C(=O)N[C@@H]4[C@@H](OC(=O)C5=NC6=C(C=C[C@H]([C@@H]6O)N[C@@H](C(=O)NC(=C)C(=O)NC(=C)C(=O)N[C@@H](C(=O)N[C@@]7(CCC(=N[C@@H]7C8=CSC4=N8)C9=NC(=CS9)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C2=NC(=CS2)C(=O)N[C@H](C(=O)N1)[C@H](C)O)C)C(C)C)C(=C5)CO)C)[C@](C)([C@H](C)O)O

Synonyms

  • Siomycin A, 1-(N-(2-carboxy-7,8-dihydro-8-hydroxy-4-(hydroxymethyl)-7-quinolinyl)-L-valine)-

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
1,634.85 g/molcalc.
Exact mass
1,633.4454 Dacalc.
LogP (octanol/water)
-0.05calc.
Topological polar surface area
562.7 Ųcalc.
Hydrogen bond donors
17calc.
Hydrogen bond acceptors
31calc.
Rotatable bonds
11calc.
Heavy atoms
112calc.
Rings
10calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
14calc.
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, C=C1NC(=O)C(=C)NC(=O)CNC2C=Cc3ccc(nc3C2)C(=O)OCC2NC(=O)c3csc(n3)CNC(=O)C3CSC(=N3)C(=C)NC(=O)CNC(=O)c3csc(n3)C3(CCC(c4nccs4)=NC3c3csc2n3)NC(=O)CNC1=O

C=C1NC(=O)C(=C)NC(=O)CNC2C=Cc3ccc(nc3C2)C(=O)OCC2NC(=O)c3csc(n3)CNC(=O)C3CSC(=N3)C(=C)NC(=O)CNC(=O)c3csc(n3)C3(CCC(c4nccs4)=NC3c3csc2n3)NC(=O)CNC1=O

10 rings, 81 atoms.

4 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.

Siomycin D1 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Siomycin D1 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Siomycin D1 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.

Get latest price

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 Siomycin D1 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 Siomycin D1 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Siomycin D1, based on the data on this page

What is Siomycin D1?

Siomycin D1 is a cyclic peptide.

What is the CAS number of Siomycin D1?

The CAS registry number of Siomycin D1 is 61419-61-2.

What is the molecular formula and weight of Siomycin D1?

The molecular formula of Siomycin D1 is C70H79N19O18S5 and its molar mass is 1,634.85 g/mol.

Is Siomycin D1 hazardous?

No GHS hazard classification for Siomycin D1 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 Siomycin D1?

Siomycin D1 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 Siomycin D1?

Post a free request on CompoundList and suppliers of Siomycin D1 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Siomycin D1?

Suppliers quote Siomycin D1 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 Siomycin D1

Get quotes for Siomycin D1

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Siomycin D1
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Siomycin D1 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/siomycin-d1-61419-61-2" title="Siomycin D1 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Heterocyclic compounds or HS code 293410

Price on request
Free quotes, contact stays private
Get quotes