Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥95%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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.
Amino Acid Sequence:Boc-Bal-Trp-Met-Asp-Phe-NH2
| Sonrisas canónicas | CC(C)(C)OC(=O)NCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N |
|---|---|
| IUPAC Name | (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid |
| InChIKey | NEYNJQRKHLUJRU-DZUOILHNSA-N |
| INCHI | 1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1 |
| Isómeros SMILES | CC(C)(C)OC(=O)NCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N |
| WGK Alemania | 1 |
| RTECS | AY2970000 |
| Peso molecular | 767.89(free base) |
| Reaxy-Rn | 24734182 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24734182&ln= |
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 |
| Clase | Peptidomimetics |
| Subclass | Hybrid peptides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hybrid peptides |
| Alternative Parents | Phenylalanine and derivatives Aspartic acid and derivatives Methionine and derivatives N-acyl-alpha amino acids and derivatives Tryptamines and derivatives Alpha amino acid amides Beta amino acids and derivatives 3-alkylindoles Amphetamines and derivatives Substituted pyrroles N-acyl amines Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Organic carbonic acids and derivatives Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Hybrid peptide - Phenylalanine or derivatives - Aspartic acid or derivatives - Methionine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - Beta amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 3-alkylindole - Indole or derivatives - Indole - Monocyclic benzene moiety - N-acyl-amine - Substituted pyrrole - Benzenoid - Fatty amide - Fatty acyl - Carbamic acid ester - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. |
| External Descriptors | Not available |
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| Sensibilidad | Light sensitive |
|---|---|
| Peso molecular | 767.900 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 22 |
| Exact Mass | 767.331 Da |
| Monoisotopic Mass | 767.331 Da |
| Topological Polar Surface Area | 276.000 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1310.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |
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