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 | C1C(CN2C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O |
|---|---|
| IUPAC Name | [(3S,6S,9S,12R,15S,18S,20S)-9-(4-aminobutyl)-3-benzyl-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate;4-[(3-carboxy-2-hydroxynaphtha |
| InChIKey | HSXBEUMRBMAVDP-NEOZNVFSSA-N |
| INCHI | 1S/C58H66N10O9.C23H16O6/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45 |
| Isomeric SMILES | C1[C@@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O |
| PubChem CID | 118753638 |
| Molecular Weight | 1435.6 |
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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 | Peptides |
| Direct Parent | Oligopeptides |
| Alternative Parents | Cyclic peptides Macrolactams Naphthalenecarboxylic acids Naphthols and derivatives Salicylic acid and derivatives Alpha amino acids and derivatives 3-alkylindoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Dicarboxylic acids and derivatives Substituted pyrroles Vinylogous acids Tertiary carboxylic acid amides Pyrrolidines Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organopnictogen compounds Monoalkylamines Carbonyl compounds Organic oxides |
| Molecular Framework | Not available |
| Substituents | Alpha-oligopeptide - Cyclic alpha peptide - Macrolactam - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - 2-naphthol - Hydroxybenzoic acid - Salicylic acid or derivatives - Alpha-amino acid or derivatives - 3-alkylindole - Naphthalene - Indole - Indole or derivatives - Phenol ether - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Substituted pyrrole - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Vinylogous acid - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Amino acid or derivatives - Secondary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid - Azacycle - Organoheterocyclic compound - Ether - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
| External Descriptors | Not available |
![[(3S,6S,9S,12R,15S,18S,20S)-9-(4-aminobutyl)-3-benzyl-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate;4-[(3-carboxy-2-hydroxynaphtha](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/6/S671315.jpg)