Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 97 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Daptomycin is a novel antibiotic with rapid in vitro bactericidal activity against gram-positive organisms.
Calcium-dependent lipopeptide antibiotic.
| alogp | -5.1 |
|---|
| Pubchem Sid | 528775780 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/528775780 |
| Canonical Smiles | CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C |
| IUPAC Name | (3S)-3-[[(2S)-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)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-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 |
| InChIKey | DOAKLVKFURWEDJ-RWDRXURGSA-N |
| INCHI | 1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45+,46+,47+,48+,49+,50-,60+,61+/m1/s1 |
| 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=C4N)C |
| PubChem CID | 16134395 |
| Molecular Weight | 1620.67 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Peptidomimetics |
| Subclass | Depsipeptides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cyclic depsipeptides |
| Alternative Parents | Pentacarboxylic acids and derivatives Alkyl-phenylketones Alpha amino acid esters Macrolides and analogues Macrolactams 3-alkylindoles Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Substituted pyrroles Vinylogous amides Heteroaromatic compounds Cyclic carboximidic acids Amino acids Lactones Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Azacyclic compounds Carboxylic acids Organic oxides Primary alcohols Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cyclic depsipeptide - Pentacarboxylic acid or derivatives - Alpha-amino acid ester - Alkyl-phenylketone - Macrolide - Macrolactam - Alpha-amino acid or derivatives - 3-alkylindole - Phenylketone - Indole - Indole or derivatives - Aniline or substituted anilines - Aryl alkyl ketone - Aryl ketone - Benzoyl - Substituted pyrrole - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Cyclic carboximidic acid - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Ketone - Lactone - Propargyl-type 1,3-dipolar organic compound - Polyol - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Carboximidic acid - Carboximidic acid derivative - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Primary aliphatic amine - Organonitrogen compound - Primary alcohol - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. |
| External Descriptors | lipopeptide - heterodetic cyclic peptide - macrolide - macrocycle - lipopeptide antibiotic |
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| Sensitivity | Heat sensitive |
|---|---|
| Molecular Weight | 1620.700 g/mol |
| XLogP3 | -5.100 |
| Hydrogen Bond Donor Count | 22 |
| Hydrogen Bond Acceptor Count | 28 |
| Rotatable Bond Count | 35 |
| Exact Mass | 1619.71 Da |
| Monoisotopic Mass | 1619.71 Da |
| Topological Polar Surface Area | 702.000 Ų |
| Heavy Atom Count | 115 |
| Formal Charge | 0 |
| Complexity | 3480.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 13 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →