Account Sulanemadlin
- Catalog No. :
- ACWQKI030
- CAS No. :
- 1451199-98-6
- Molecular Formula :
- C95H140N20O23
- Molecular Weight :
- 1930.28
IUPAC Name:3-((2S,5S,8S,11S,14S,17S,20S,32R,E)-8-((1H-indol-3-yl)methyl)-32-((S)-2-((2S,3R)-2-((S)-2-acetamido-4-methylpentanamido)-3-hydroxybutanamido)-3-phenylpropanamido)-20-(((2R,5S,8S,11S,14S,17S)-1-amino-2,5,8,11,14-pentamethyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazaoctadecan-17-yl)carbamoyl)-14-(3-amino-3-oxopropyl)-5-(4-hydroxybenzyl)-17-isobutyl-11,20,32-trimethyl-3,6,9,12,15,18,33-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotritriacont-24-en-2-yl)propanoic acid
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Product Information
| Product Name | Sulanemadlin |
|---|---|
| IUPAC Name | 3-((2S,5S,8S,11S,14S,17S,20S,32R,E)-8-((1H-indol-3-yl)methyl)-32-((S)-2-((2S,3R)-2-((S)-2-acetamido-4-methylpentanamido)-3-hydroxybutanamido)-3-phenylpropanamido)-20-(((2R,5S,8S,11S,14S,17S)-1-amino-2,5,8,11,14-pentamethyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazaoctadecan-17-yl)carbamoyl)-14-(3-amino-3-oxopropyl)-5-(4-hydroxybenzyl)-17-isobutyl-11,20,32-trimethyl-3,6,9,12,15,18,33-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotritriacont-24-en-2-yl)propanoic acid |
| Molecular Formula | C95H140N20O23 |
| Molecular Weight | 1930.28 |
| SMILES | C(C=1C=2C(NC1)=CC=CC2)[C@@H]3NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@](NC([C@H](CC5=CC=CC=C5)NC([C@@H](NC([C@H](CC(C)C)NC(C)=O)=O)[C@@H](C)O)=O)=O)(C)CCCCCC/C=C/CCC[C@](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](C(N)=O)C)=O)C)=O)C)=O)C)=O)C)=O)C)=O)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC3=O |
| InChI Key | VDLGAZDAHPLOIR-RLPDZDIMSA-N |
| Synonym | ALRN6924;Sulanemadlin;D-Alaninamide, 42,112-(7E)-7-undecene-1,11-diyl-N-acetyl-L-leucyl-L-threonyl-L-phenylalanyl-L-alanyl-L-α-glutamyl-L-tyrosyl-L-tryptophyl-L-alanyl-L-glutaminyl-L-leucyl-D-alanyl-L-alanyl-L-alanyl-L-alanyl-L-alanyl-L-alanyl- |
| CAS No. | 1451199-98-6 |
| PubChem CID | 168008959 |
Synthetic Route by SureRoute
2. ACWQKI030 Molecular Building Block Synthetic Route
Glu-Gly-Thr-Phe-Thr-Ser-Asp-Val-Ser-Ser-Tyr-Leu-Glu-Gly-Gln-Ala-Ala-Lys-Glu-Phe-Ile-Ala-Trp-Leu-Val-Arg-Gly-Arg-Gly
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S,57S,63S)-15,54-bis((1H-indol-3-yl)methyl)-1,63-diamino-21,51-bis(4-aminobutyl)-12,33,42-tribenzyl-57-((S)-sec-butyl)-6-carbamoyl-9,18-bis(4-hydroxybenzyl)-24,30,36,39-tetrakis((R)-1-hydroxyethyl)-45-(hydroxymethyl)-1-imino-27-isopropyl-48-methyl-8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62-nonadecaoxo-2,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61-icosaazapentahexacontan-65-oic acid
(6S,9S,12S,15S,18S,21S,24S,27S)-12-((1H-indol-3-yl)methyl)-1,1-diamino-6-((S)-2-amino-3-hydroxypropanamido)-18-((S)-sec-butyl)-21,27-bis(3-((diaminomethylene)amino)propyl)-9-(4-hydroxybenzyl)-24-((R)-1-hydroxyethyl)-15-methyl-7,10,13,16,19,22,25-heptaoxo-2,8,11,14,17,20,23,26-octaazaoctacos-1-en-28-oic acid