Moligand™ Moligand™ 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 | [C@@H]12CCCCN1C(=O)C(=O)[C@]1([C@@H](CC[C@@H](C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H]([C@@H](C[C@H](OC2=O)[C@@H](C[C@H]2C[C@H]([C@@H](CC2)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N2CCc3c(ccc(Cn4c5ncnc(N)c5c(n4)c4ccc5c(c4)nc(o5)N)c3)C2)OC)C)O)C)/C)O)OC)C)C)/C)O1)C)O |
|---|---|
| InChIKey | IUTYTXDIGUNPAA-GKVGALOGSA-N |
| INCHI | 1S/C93H136N10O24/c1-59-16-12-11-13-17-60(2)77(113-8)54-71-24-19-65(7)93(112,127-71)86(108)89(109)102-30-15-14-18-73(102)90(110)124-78(55-74(104)61(3)49-64(6)84(107)85(115-10)83(106)63(5)48-59)62(4)50-66-21-25-76(79(52-66)114-9)126-92(111)96-29-33-117-35-37-119-39-41-121-43-45-123-47-46-122-44-42-120-40-38-118-36-34-116-32-28-80(105)101-31-27-68-51-67(20-22-70(68)57-101)56-103-88-81(87(94)97-58-98-88)82(100-103)69-23-26-75-72(53-69)99-91(95)125-75/h11-13,16-17,20,22-23,26,49,51,53,58-59,61-63,65-66,71,73-74,76-79,84-85,104,107,112H,14-15,18-19,21,24-25,27-48,50,52,54-57H2,1-10H3,(H2,95,99)(H,96,111)(H2,94,97,98)/b13-11+,16-12+,60-17+,64-49+/t59-,61-,62-,63-,65-,66+,71+,73+,74-,76-,77+,78+,79-,84-,85+,93-/m1/s1 |
| Isomeric SMILES | C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H]([C@@H](C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N5CCC6=C(C5)C=CC(=C6)CN7C8=NC=NC(=C8C(=N7)C9=CC1=C(C=C9)OC(=N1)N)N)O)C)/C)O)OC)C)C)/C)OC |
| PubChem CID | 162640850 |
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 - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Tetrahydroisoquinolines Pyrazolopyrimidines Piperidinecarboxylic acids N-acylpiperidines Fatty acid esters Pyrimidines and pyrimidine derivatives Oxanes N-acyl amines Monosaccharides Imidolactams Hemiketals Beta-hydroxy ketones Benzenoids Acyloins Tertiary carboxylic acid amides Pyrazolines Pyrazoles Oxazoles Heteroaromatic compounds Carbamate esters Alpha-hydroxy ketones Secondary alcohols Organic carbonic acids and derivatives Lactones Lactams Cyclic ketones Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboximidamides Azacyclic compounds Amidines Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Tetrahydroisoquinoline - Pyrazolopyrimidine - Piperidinecarboxylic acid - N-acyl-piperidine - Fatty acid ester - Fatty acyl - Imidolactam - Benzenoid - Pyrimidine - Piperidine - Oxane - N-acyl-amine - Monosaccharide - Hemiketal - Beta-hydroxy ketone - Acyloin - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrazoline - Pyrazole - Oxazole - Azole - Alpha-hydroxy ketone - Cyclic ketone - Secondary alcohol - Carbonic acid derivative - Lactone - Lactam - Ketone - Carboxylic acid ester - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
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