Account (4R,10S,16S,28S,31S,37S,43S)-52-((5S,8S,11S)-14-amino-5-(4-aminobutyl)-8-(hydroxymethyl)-11-isobutyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-40-(4-aminobutyl)-49-benzyl-28-((S)-sec-butyl)-34-(carboxymethyl)-31-(3-guanidinopropyl)-16,22-bis(hydroxymethyl)-10,37,43-triisobutyl-19-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carboxylic acid--2,2,2-trifluoroacetic acid (1/1)
- Catalog No. :
- ACRLRI730
- CAS No. :
- 1966153-17-2
- Molecular Formula :
- C95H158F3N27O30S3
- Molecular Weight :
- 2311.66
IUPAC Name:(4R,10S,16S,28S,31S,37S,43S)-52-((5S,8S,11S)-14-amino-5-(4-aminobutyl)-8-(hydroxymethyl)-11-isobutyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-40-(4-aminobutyl)-49-benzyl-28-((S)-sec-butyl)-34-(carboxymethyl)-31-(3-guanidinopropyl)-16,22-bis(hydroxymethyl)-10,37,43-triisobutyl-19-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carboxylic acid--2,2,2-trifluoroacetic acid (1/1)
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Product Information
| Product Name | (4R,10S,16S,28S,31S,37S,43S)-52-((5S,8S,11S)-14-amino-5-(4-aminobutyl)-8-(hydroxymethyl)-11-isobutyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-40-(4-aminobutyl)-49-benzyl-28-((S)-sec-butyl)-34-(carboxymethyl)-31-(3-guanidinopropyl)-16,22-bis(hydroxymethyl)-10,37,43-triisobutyl-19-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carboxylic acid--2,2,2-trifluoroacetic acid (1/1) |
|---|---|
| IUPAC Name | (4R,10S,16S,28S,31S,37S,43S)-52-((5S,8S,11S)-14-amino-5-(4-aminobutyl)-8-(hydroxymethyl)-11-isobutyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-40-(4-aminobutyl)-49-benzyl-28-((S)-sec-butyl)-34-(carboxymethyl)-31-(3-guanidinopropyl)-16,22-bis(hydroxymethyl)-10,37,43-triisobutyl-19-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carboxylic acid--2,2,2-trifluoroacetic acid (1/1) |
| Molecular Formula | C95H158F3N27O30S3 |
| Molecular Weight | 2311.66 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C(CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CN)CSSC[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)CNC1=O.O=C(O)C(F)(F)F |
| InChI Key | PKYLOAOOPXCZHF-STACGKDVSA-N |
| Synonym | C-Type Natriuretic Peptide (1-22);C-Type Natriuretic Peptide (CNP) (1-22), human TFA |
| CAS No. | 1966153-17-2 |
| PubChem CID | 168013159 |
Synthetic Route by SureRoute
2. ACRLRI730 Molecular Building Block Synthetic Route
(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,43S,49S,52R)-52-((5S,8S,11S)-14-amino-5-(4-aminobutyl)-8-(hydroxymethyl)-11-isobutyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-40-(4-aminobutyl)-49-benzyl-28-((S)-sec-butyl)-34-(carboxymethyl)-31-(3-guanidinopropyl)-16,22-bis(hydroxymethyl)-10,37,43-triisobutyl-19-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carboxylic acid
((4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,49S,52R)-52-((S)-2-((S)-2-((S)-2-((S)-2-((S)-2-((S)-2-amino-3-hydroxypropanamido)-4-methylpentanamido)-5-guanidinopentanamido)-5-guanidinopentanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-19-(3-amino-3-oxopropyl)-49-benzyl-28-((S)-sec-butyl)-34-(carboxymethyl)-31,40-bis(3-guanidinopropyl)-16-(hydroxymethyl)-10-isobutyl-22-methyl-37-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carbonyl)-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-L-tyrosine--acetic acid (1/1)
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)