Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged,Desiccated Ships Ice chest + Ice pads 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CCN)O)O)NCCN)O |
|---|---|
| IUPAC Name | (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide |
| InChIKey | JYIKNQVWKBUSNH-WVDDFWQHSA-N |
| INCHI | 1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28-,29+,30+,33+,34-,35-,36+,37-,38+,40-,41-,42-,43-,44-,45-,46-/m0/s1 |
| Isomeric SMILES | CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O |
| Alternate CAS | 162808-62-0 |
| MeSH Entry Terms | Cancidas;caspofungin;caspofungin acetate;Caspofungin MSD;L 743,872;L 743872;L-743,872;L-743872;L743,872;L743872;MK 0991;MK-0991;MK0991 |
| Molecular Weight | 1093.31 |
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 | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Peptides |
| Direct Parent | Oligopeptides |
| Alternative Parents | Cyclic peptides N-acyl-alpha amino acids and derivatives Macrolactams 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Benzene and substituted derivatives Tertiary carboxylic acid amides Pyrrolidines 1,3-aminoalcohols Secondary carboxylic acid amides Secondary alcohols Lactams Polyols Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Aromatic alcohols Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-oligopeptide - Cyclic alpha peptide - Macrolactam - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Fatty amide - N-acyl-amine - Tertiary carboxylic acid amide - 1,3-aminoalcohol - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Lactam - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Polyol - Organic oxygen compound - Organic oxide - Primary amine - Amine - Organic nitrogen compound - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Primary aliphatic amine - Alcohol - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
| External Descriptors | Not available |
| Sensitivity | Moisture sensitive；Light sensitive |
|---|---|
| Boil Point(°C) | 1408.1±65.0 °C(Predicted) |
| Molecular Weight | 1093.300 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 16 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 23 |
| Exact Mass | 1092.64 Da |
| Monoisotopic Mass | 1092.64 Da |
| Topological Polar Surface Area | 412.000 Ų |
| Heavy Atom Count | 77 |
| Formal Charge | 0 |
| Complexity | 1900.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 16 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Zhang Heng, Zhu Zhangling, Peng Mengqi, Liu Sijie, Gong Xiao, Chen Tian, Hu Qingwen, Li Linyun, Dun-zhu Zha-xi, Drol-ga Lha-zom, Sun Yi. (2025) Agricultural SDHIs Induce Azole Resistance in Aspergillus fumigatus via Mitochondrial Sdh1 Suppression. MYCOPATHOLOGIA, 190 (5): (1-16). [PMID:40952433] [10.1007/s11046-025-00992-0] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
