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N-Formyl daptomycin

Also known as Daptomycin, 13-[(alphaS)-alpha-amino-2-(formylamino)-gamma-oxobenzenebutanoic acid]-

CAS 856000-07-2Formula C73H101N17O27Molar mass 1,648.70 g/mol
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N-Formyl daptomycin chemical structure, C73H101N17O27, CAS 856000-07-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
856000-07-2
Formula
C73H101N17O27
Molar mass
1,648.70 g/mol
HS code
293499
Category
Peptides

What is N-Formyl daptomycin?

Plain description, key identifiers and synonyms

N-Formyl daptomycin is a chemical substance with the molecular formula C73H101N17O27 and a molar mass of 1,648.70 g/mol. Its CAS registry number is 856000-07-2. The IUPAC name is (3S)-3-[[(2R)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-3-[2-(2-formamidophenyl)-2-oxoethyl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S)-3-[[(2R)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-3-[2-(2-formamidophenyl)-2-oxoethyl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid
CAS number
856000-07-2
Molecular formula
C73H101N17O27
UNII
ZW3T668STW
InChIKey
RREUOCHQEZVHQU-AMHMBKJNSA-N
InChI
InChI=1S/C73H101N17O27/c1-5-6-7-8-9-10-11-22-54(95)82-45(25-39-31-76-42-19-14-12-17-40(39)42)67(110)85-46(27-53(75)94)68(111)87-49(30-60(104)105)69(112)90-62-38(4)117-73(116)50(26-52(93)41-18-13-15-20-43(41)79-35-92)88-72(115)61(36(2)24-57(98)99)89-70(113)51(34-91)83-56(97)32-77-64(107)47(28-58(100)101)84-63(106)37(3)80-66(109)48(29-59(102)103)86-65(108)44(21-16-23-74)81-55(96)33-78-71(62)114/h12-15,17-20,31,35-38,44-51,61-62,76,91H,5-11,16,21-30,32-34,74H2,1-4H3,(H2,75,94)(H,77,107)(H,78,114)(H,79,92)(H,80,109)(H,81,96)(H,82,95)(H,83,97)(H,84,106)(H,85,110)(H,86,108)(H,87,111)(H,88,115)(H,89,113)(H,90,112)(H,98,99)(H,100,101)(H,102,103)(H,104,105)/t36-,37-,38-,44+,45+,46-,47+,48+,49+,50+,51-,61+,62+/m1/s1
Canonical SMILES
CCCCCCCCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NCC(=O)NC(CCCN)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(C(C)CC(=O)O)C(=O)NC(CC(=O)c2ccccc2NC=O)C(=O)OC1C
Isomeric SMILES
CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)C4=CC=CC=C4NC=O)C

Synonyms

  • Daptomycin, 13-[(alphaS)-alpha-amino-2-(formylamino)-gamma-oxobenzenebutanoic 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
1,648.70 g/molcalc.
Exact mass
1,647.7053 Dacalc.
LogP (octanol/water)
-5.64calc.
Topological polar surface area
705.1 Ųcalc.
Hydrogen bond donors
22calc.
Hydrogen bond acceptors
24calc.
Rotatable bonds
37calc.
Heavy atoms
117calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
13calc.
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(CCc1c[nH]c2ccccc12)NCC(=O)NCC(=O)NC1COC(=O)C(CC(=O)c2ccccc2)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC1=O

O=C(CCc1c[nH]c2ccccc12)NCC(=O)NCC(=O)NC1COC(=O)C(CC(=O)c2ccccc2)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC1=O

4 rings, 72 atoms.

12 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.

N-Formyl daptomycin suppliers

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

Frequently asked questions

Quick answers about N-Formyl daptomycin, based on the data on this page

What is N-Formyl daptomycin?

N-Formyl daptomycin is a chemical substance with the molecular formula C73H101N17O27 and a molar mass of 1,648.70 g/mol. Its CAS registry number is 856000-07-2.

What is the CAS number of N-Formyl daptomycin?

The CAS registry number of N-Formyl daptomycin is 856000-07-2.

What is the molecular formula and weight of N-Formyl daptomycin?

The molecular formula of N-Formyl daptomycin is C73H101N17O27 and its molar mass is 1,648.70 g/mol.

Is N-Formyl daptomycin hazardous?

No GHS hazard classification for N-Formyl daptomycin 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 N-Formyl daptomycin?

N-Formyl daptomycin 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 N-Formyl daptomycin?

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

What is the price of N-Formyl daptomycin?

Suppliers quote N-Formyl daptomycin 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 N-Formyl daptomycin

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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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