Account hMCH-1R antagonist 1
- Catalog No. :
- ACNRIB517
- CAS No. :
- 353487-64-6
- Molecular Formula :
- C49H82N16O11S3
- Molecular Weight :
- 1167.50
IUPAC Name:(4R,13S,16S,19S,28S,31R)-31-((S)-2-acetamido-5-guanidinopentanamido)-19-(3-guanidinopropyl)-13-(4-hydroxybenzyl)-16-isopropyl-28-(2-(methylthio)ethyl)-6,12,15,18,21,27,30-heptaoxo-1,2-dithia-5,11,14,17,20,26,29-heptaazacyclodotriacontane-4-carboxamide
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Product Information
| Product Name | hMCH-1R antagonist 1 |
|---|---|
| IUPAC Name | (4R,13S,16S,19S,28S,31R)-31-((S)-2-acetamido-5-guanidinopentanamido)-19-(3-guanidinopropyl)-13-(4-hydroxybenzyl)-16-isopropyl-28-(2-(methylthio)ethyl)-6,12,15,18,21,27,30-heptaoxo-1,2-dithia-5,11,14,17,20,26,29-heptaazacyclodotriacontane-4-carboxamide |
| Molecular Formula | C49H82N16O11S3 |
| Molecular Weight | 1167.50 |
| SMILES | CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(N)=O)NC(=O)CCCCNC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCNC1=O |
| InChI Key | GCICFXMYTKDVNK-ROOPJIIGSA-N |
| Synonym | AC-ARG-CYS-MET-5-AMINOPENTANOYL-ARG-VAL-TYR-5-AMINOPENTANOYL-CYS-NH2, (DISULFIDE BOND) TRIFLUOROACETATE;Ac-Arg-Cys-Met-5-aminopentanoyl-Arg-Val-Tyr-5-aminopentanoyl-Cys-NH2, (Disulfide bond);Ac-Arg-Cys-Met-Ava-Arg-Val-Tyr-Ava-Cys-NH2|(Disulfide bond);Ac-Arg-Cys-Met-5-aminopentanoyl-Arg-Val-Tyr-5-aminopentanoyl-Cys-NH2 trifluoroacetate salt (Disulfide bond);L-Cysteinamide, N2-acetyl-L-arginyl-L-cysteinyl-L-methionyl-5-aminopentanoyl-L-arginyl-L-valyl-L-tyrosyl-5-aminopentanoyl-, cyclic (2→9)-disulfide |
| CAS No. | 353487-64-6 |
Synthetic Route by SureRoute
2. ACNRIB517 Molecular Building Block Synthetic Route
YMRF-NH2
2-((1R,4S,7S,13S,16R,21R,24S,27S,30S,33S,36S,39S,42R,45S,48S,54S,60S,63R,68R,71S,77S)-63-amino-13,45,54,60-tetrakis(4-aminobutyl)-16-carbamoyl-4,36-bis(3-guanidinopropyl)-27-(4-hydroxybenzyl)-71-((R)-1-hydroxyethyl)-7,39,77-tris(hydroxymethyl)-33-isobutyl-48-methyl-30-(2-(methylthio)ethyl)-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosaazatricyclo[40.37.4.221,68]pentaoctacontan-24-yl)acetic acid--acetic acid (1/1)
2-(63-amino-13,45,54,60-tetrakis(4-aminobutyl)-16-carbamoyl-4,36-bis(3-guanidinopropyl)-27-(4-hydroxybenzyl)-71-(1-hydroxyethyl)-7,39,77-tris(hydroxymethyl)-33-isobutyl-48-methyl-30-(2-(methylthio)ethyl)-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosaazatricyclo[40.37.4.221,68]pentaoctacontan-24-yl)acetic acid