≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504767239 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767239 |
| Canonical Smiles | CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O.CC(=O)O |
| IUPAC Name | acetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide |
| InChIKey | DPWSRXJWCYEGIV-PFHUABGLSA-N |
| INCHI | 1S/C56H78N16O12.2C2H4O2/c1-5-60-54(83)45-13-9-21-72(45)55(84)39(12-8-20-61-56(57)58)66-50(79)40(22-30(2)3)67-47(76)31(4)64-49(78)41(23-32-14-16-35(74)17-15-32)68-53(82)44(28-73)71-51(80)42(24-33-26-62-37-11-7-6-10-36(33)37)69-52(81)43(25-34-27-59-29-63-34)70-48(77)38-18-19-46(75)65-38;2*1-2(3)4/h6-7,10-11,14-17,26-27,29-31,38-45,62,73-74H,5,8-9,12-13,18-25,28H2,1-4H3,(H,59,63)(H,60,83)(H,64,78)(H,65,75)(H,66,79)(H,67,76)(H,68,82)(H,69,81)(H,70,77)(H,71,80)(H4,57,58,61);2*1H3,(H,3,4)/t31-,38+,39+,40+,41+,42+,43+,44+,45+;;/m1../s1 |
| Isomeric SMILES | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O.CC(=O)O |
| PubChem CID | 12821051 |
| Molecular Weight | 1287.42 |
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 | Tyrosine and derivatives Phenylalanine and derivatives Histidine and derivatives Leucine and derivatives Proline and derivatives N-acyl-alpha amino acids and derivatives Serine and derivatives Tryptamines and derivatives Alpha amino acid amides Alanine and derivatives Amphetamines and derivatives 3-alkylindoles Pyrrolidinecarboxamides N-acylpyrrolidines 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Substituted pyrroles Pyrrolidine-2-ones Imidazoles Heteroaromatic compounds Tertiary carboxylic acid amides Guanidines Lactams Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboximidamides Carboxylic acids Organic oxides Carbonyl compounds Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Alpha-oligopeptide - Tyrosine or derivatives - Phenylalanine or derivatives - Histidine or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Triptan - Alpha-amino acid amide - Serine or derivatives - Alanine or derivatives - Amphetamine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - 3-alkylindole - Indole - Indole or derivatives - N-acylpyrrolidine - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - N-acyl-amine - Substituted pyrrole - Fatty acyl - 2-pyrrolidone - Fatty amide - Monocyclic benzene moiety - Pyrrolidone - Azole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Secondary carboxylic acid amide - Carboxamide group - Guanidine - Lactam - Carboximidamide - Carboxylic acid - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Primary alcohol - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2107461 | Certificate of Analysis | Sep 20, 2024 | A332479 |
| L2107462 | Certificate of Analysis | Sep 20, 2024 | A332479 |
| L2107464 | Certificate of Analysis | Sep 20, 2024 | A332479 |
| L2107466 | Certificate of Analysis | Sep 20, 2024 | A332479 |
| L2107468 | Certificate of Analysis | Sep 20, 2024 | A332479 |
| Solubility | ≥128.7 mg/mL in DMSO; ≥128.6 mg/mL in EtOH; ≥128.8 mg/mL in H2O |
|---|---|
| Molecular Weight | 1287.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 17 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 30 |
| Exact Mass | 1286.64 Da |
| Monoisotopic Mass | 1286.64 Da |
| Topological Polar Surface Area | 506.000 Ų |
| Heavy Atom Count | 92 |
| Formal Charge | 0 |
| Complexity | 2350.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| 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 | 3 |
