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.
| ALogP | -6.7 |
|---|
| Canonical Smiles | CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)NNC(=O)OCCSSCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC1=CN=C2C(=N1)C(=O)N=C(N2)N)O)O)CC)OC) |
|---|---|
| IUPAC Name | (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-[2-[[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycar |
| InChIKey | KUZYSQSABONDME-QRLOMCMNSA-N |
| INCHI | 1S/C86H109N21O26S2/c1-6-82(129)35-42-36-85(78(127)132-5,64-47(21-26-106(39-42)41-82)46-12-8-9-13-50(46)95-64)49-30-48-57(34-58(49)131-4)105(3)75-84(48)23-27-107-25-11-22-83(7-2,74(84)107)76(125)86(75,130)77(126)103-104-81(128)133-28-29-134-135-40-56 |
| Isomeric SMILES | CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)NNC(=O)OCCSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)NCC1=CN=C2C(=N1)C(=O)N=C(N2)N)O)O)CC)OC)C(=O)OC)O |
| Molecular Weight | 1917 |
| Reaxy-Rn | 26781396 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26781396&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Class | Vinca alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Vinca alkaloids |
| Alternative Parents | Oligopeptides Hexacarboxylic acids and derivatives Arginine and derivatives Glutamine and derivatives Aspartic acid and derivatives Carbazoles Hippuric acids N-acyl-L-alpha-amino acids Quinoline carboxamides Pterins and derivatives Alpha amino acid amides Cysteine and derivatives Aminobenzamides 3-alkylindoles Benzoyl derivatives Anisoles Aniline and substituted anilines Phenylalkylamines Dialkylarylamines Aminopyrimidines and derivatives Secondary alkylarylamines Alkyl aryl ethers Pyrimidones Pyrazines Piperidines N-alkylpyrrolidines N-acyl amines Hydrazinecarboxylic acid esters Heteroaromatic compounds Tertiary alcohols Pyrroles Methyl esters Guanidines 1,2-aminoalcohols Dialkyldisulfides Organic carbonic acids and derivatives Cyclic alcohols and derivatives Carboxylic acid hydrazides Trialkylamines Secondary carboxylic acid amides Secondary alcohols Amino acids Lactams Sulfenyl compounds Carboxylic acids Carboximidamides Azacyclic compounds Primary amines Hydrocarbon derivatives Organopnictogen compounds Organic oxides Carbonyl compounds Imines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Vinca alkaloid skeleton - Alpha-oligopeptide - Hexacarboxylic acid or derivatives - Alpha peptide - Arginine or derivatives - Glutamine or derivatives - Aspartic acid or derivatives - Hippuric acid - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Carbazole - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Quinoline-6-carboxamide - Pterin - Alpha-amino acid amide - Cysteine or derivatives - N-substituted-alpha-amino acid - 3-alkylindole - Aminobenzoic acid or derivatives - Aminobenzamide - Pteridine - Alpha-amino acid or derivatives - Indole or derivatives - Benzoic acid or derivatives - Benzamide - Indole - Benzoyl - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Phenylalkylamine - Anisole - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Aralkylamine - Secondary aliphatic/aromatic amine - Pyrimidone - Hydrazinecarboxylic acid ester - N-acyl-amine - Fatty acyl - Benzenoid - N-alkylpyrrolidine - Piperidine - Fatty amide - Pyrimidine - Pyrazine - Monocyclic benzene moiety - Cyclic alcohol - Heteroaromatic compound - Methyl ester - Tertiary alcohol - Pyrrole - Pyrrolidine - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Dialkyldisulfide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Carboxylic acid ester - Carboxylic acid hydrazide - Secondary carboxylic acid amide - Guanidine - Secondary alcohol - Lactam - Organic disulfide - Carbonic acid derivative - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Secondary amine - Ether - Carboximidamide - Carboxylic acid - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Primary amine - Organosulfur compound - Imine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as vinca alkaloids. These are alkaloids with a dimeric chemical structure composed of an indole nucleus (catharanthine), and a dihydroindole nucleus (vindoline), joined together. |
| External Descriptors | Not available |
![(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-[2-[[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycar](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/r/e/reagent_700_S671266.jpg)