for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)SCCNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N(CC=C)CC=C |
|---|---|
| IUPAC Name | (2S)-2-[[(2S)-2-[2-[[2-[[(2S)-2-[bis(prop-2-enyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]ethylsulfanyl]-3-phenylpropanoyl]amino]-4-methylpentanoic acid |
| InChIKey | CZRZYRKTYLLLRL-DTXPUJKBSA-N |
| INCHI | 1S/C34H46N4O6S/c1-5-17-38(18-6-2)29(21-26-12-14-27(39)15-13-26)32(41)36-23-31(40)35-16-19-45-30(22-25-10-8-7-9-11-25)33(42)37-28(34(43)44)20-24(3)4/h5-15,24,28-30,39H,1-2,16-23H2,3-4H3,(H,35,40)(H,36,41)(H,37,42)(H,43,44)/t28-,29-,30-/m0/s1 |
| Isomeric SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)SCCNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N(CC=C)CC=C |
| PubChem CID | 3035055 |
| Molecular Weight | 638.83 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Dipeptides |
| Alternative Parents | Tyrosine and derivatives Phenylalanine and derivatives Leucine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Amphetamines and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Fatty amides Trialkylamines Secondary carboxylic acid amides Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-dipeptide - Tyrosine or derivatives - Phenylalanine or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Fatty amide - Benzenoid - Monocyclic benzene moiety - Amino acid or derivatives - Amino acid - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Sulfenyl compound - Monocarboxylic acid or derivatives - Dialkylthioether - Carboxylic acid - Thioether - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
| External Descriptors | Not available |
| Solubility | Soluble to 1 (mg/mL) in methanol |
|---|---|
| Molecular Weight | 638.800 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 21 |
| Exact Mass | 638.314 Da |
| Monoisotopic Mass | 638.314 Da |
| Topological Polar Surface Area | 173.000 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 939.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
