≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
Store at +4°C. The product can be stored for up to 12 months.
| Canonical Smiles | CC(C)CC(C(=O)NC(CCSC)C(=O)O)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N |
|---|---|
| IUPAC Name | 2-[[2-[[2-[[2-[[2-[[5-amino-2-[[5-amino-2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid |
| InChIKey | XHWDVRRNQHMAPE-UHFFFAOYSA-N |
| INCHI | 1S/C63H97N17O14S/c1-37(2)33-45(56(87)76-44(62(93)94)27-32-95-3)72-52(83)36-71-53(84)46(34-38-15-6-4-7-16-38)77-57(88)47(35-39-17-8-5-9-18-39)78-55(86)41(23-25-50(66)81)73-54(85)42(24-26-51(67)82)74-58(89)49-22-14-31-80(49)61(92)43(20-10-11-28-64)75-59(90)48-21-13-30-79(48)60(91)40(65)19-12-29-70-63(68)69/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,81)(H2,67,82)(H,71,84)(H,72,83)(H,73,85)(H,74,89)(H,75,90)(H,76,87)(H,77,88)(H,78,86)(H,93,94)(H4,68,69,70) |
| Isomeric SMILES | CC(C)CC(C(=O)NC(CCSC)C(=O)O)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N |
| PubChem CID | 5048481 |
| Molecular Weight | 1348.65 |
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 Polymers |
| Class | Polypeptides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Polypeptides |
| Alternative Parents | Peptides Phenylalanine and derivatives Glutamine and derivatives Leucine and derivatives Methionine and derivatives N-acyl-alpha amino acids Proline and derivatives Alpha amino acid amides Amphetamines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines Thia fatty acids N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Guanidines Amino acids Primary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Carbonyl compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polypeptide - Alpha peptide - Phenylalanine or derivatives - Glutamine or derivatives - Methionine or derivatives - Leucine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Amphetamine or derivatives - N-substituted-alpha-amino acid - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Thia fatty acid - Benzenoid - Fatty amide - Monocyclic benzene moiety - Fatty acyl - N-acyl-amine - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Guanidine - Primary carboxylic acid amide - Secondary carboxylic acid amide - Thioether - Carboximidamide - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Primary amine - Organic oxygen compound - Amine - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. |
| External Descriptors | Not available |
| Solubility | Soluble in DMSO |
|---|---|
| Molecular Weight | 1348.600 g/mol |
| XLogP3 | -3.900 |
| Hydrogen Bond Donor Count | 15 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 42 |
| Exact Mass | 1347.71 Da |
| Monoisotopic Mass | 1347.71 Da |
| Topological Polar Surface Area | 539.000 Ų |
| Heavy Atom Count | 95 |
| Formal Charge | 0 |
| Complexity | 2620.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 10 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
