≥95% 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.
| Pubchem Sid | 504773630 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773630 |
| Canonical Smiles | CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=C3C(C4=C(N3CCCCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)C=CC(=C4)S(=O)(=O)O)(C)C)CCCS(=O)(=O)O)C |
| IUPAC Name | 2-[(E,3E)-3-[1-[6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-sulfonate |
| InChIKey | ALLGTQOHAQKUOH-UHFFFAOYSA-N |
| INCHI | 1S/C50H54N4O11S3/c1-49(2)40-32-38(67(60,61)62)23-25-43(40)52(45(49)18-12-19-46-50(3,4)41-33-39(68(63,64)65)24-26-44(41)53(46)30-13-31-66(57,58)59)29-11-5-6-20-47(55)51-28-27-48(56)54-34-37-16-8-7-14-35(37)21-22-36-15-9-10-17-42(36)54/h7-10,12,14-19,23-26,32-33H,5-6,11,13,20,27-31,34H2,1-4H3,(H3-,51,55,57,58,59,60,61,62,63,64,65) |
| PubChem CID | 146680152 |
| Molecular Weight | 983.18 |
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 | Amino acids and derivatives |
| Direct Parent | Beta amino acids and derivatives |
| Alternative Parents | 3-alkylindoles 1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines Benzenoids N-acyl amines Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Organic salts Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Beta amino acid or derivatives - 3-alkylindole - Arylsulfonic acid or derivatives - Indole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Alkanesulfonic acid - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Enamine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organosulfur compound - Organic salt - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. |
| External Descriptors | Not available |
| Sensitivity | Light & Moisture sensitive |
|---|
A2303559