≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C(=CC(=O)O)C(=O)O |
|---|---|
| IUPAC Name | (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;(E)-but-2-enedioic acid |
| InChIKey | RSFGNDXWVZPKJA-KVBHIGNWSA-N |
| INCHI | 1S/C30H53N3O6.C4H4O4/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;5-3(6)1-2-4(7)8/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;2-1+/t22-,23-,24-,25-;/m0./s1 |
| Isomeric SMILES | CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C(=C/C(=O)O)\C(=O)O |
| PubChem CID | 9939627 |
| Molecular Weight | 667.83 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Amino acids and derivatives |
| Direct Parent | Delta amino acids and derivatives |
| Alternative Parents | Beta amino acids and derivatives Phenylbutylamines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aralkylamines N-acyl amines Dicarboxylic acids and derivatives Unsaturated fatty acids 1,2-aminoalcohols Secondary carboxylic acid amides Primary carboxylic acid amides Secondary alcohols Dialkyl ethers Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Delta amino acid or derivatives - Phenylbutylamine - Beta amino acid or derivatives - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Benzenoid - Unsaturated fatty acid - Fatty acyl - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Monocyclic benzene moiety - Fatty acid - 1,2-aminoalcohol - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary aliphatic amine - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom. |
| External Descriptors | Not available |
| Molecular Weight | 667.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 21 |
| Exact Mass | 667.404 Da |
| Monoisotopic Mass | 667.404 Da |
| Topological Polar Surface Area | 221.000 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 836.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 2 |
![(2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide; but-2-enedioic acid - ≥95% CAS No(1196835-68-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/1/S1027351.jpg)