Account (S)-N1-((2S,5S,8S,11S,14S,17S,20S)-11-((1H-imidazol-4-yl)methyl)-1,24-diamino-8-(3-amino-3-oxopropyl)-5-((S)-sec-butyl)-2-(4-hydroxybenzyl)-17-isobutyl-14-methyl-1,4,7,10,13,16,19-heptaoxo-3,6,9,12,15,18-hexaazatetracosan-20-yl)-2-((S)-2-((2S,3R)-2-((4R,7S,13S,16S,19R)-19-amino-13-benzyl-16-(3-guanidinopropyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-hydroxybutanamido)-3-methylbutanamido)pentanediamide
- Catalog No. :
- ACDLEG180
- CAS No. :
- 318480-38-5
- Molecular Formula :
- C82H129N25O21S2
- Molecular Weight :
- 1865.22
IUPAC Name:(S)-N1-((2S,5S,8S,11S,14S,17S,20S)-11-((1H-imidazol-4-yl)methyl)-1,24-diamino-8-(3-amino-3-oxopropyl)-5-((S)-sec-butyl)-2-(4-hydroxybenzyl)-17-isobutyl-14-methyl-1,4,7,10,13,16,19-heptaoxo-3,6,9,12,15,18-hexaazatetracosan-20-yl)-2-((S)-2-((2S,3R)-2-((4R,7S,13S,16S,19R)-19-amino-13-benzyl-16-(3-guanidinopropyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-hydroxybutanamido)-3-methylbutanamido)pentanediamide
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Product Information
| Product Name | (S)-N1-((2S,5S,8S,11S,14S,17S,20S)-11-((1H-imidazol-4-yl)methyl)-1,24-diamino-8-(3-amino-3-oxopropyl)-5-((S)-sec-butyl)-2-(4-hydroxybenzyl)-17-isobutyl-14-methyl-1,4,7,10,13,16,19-heptaoxo-3,6,9,12,15,18-hexaazatetracosan-20-yl)-2-((S)-2-((2S,3R)-2-((4R,7S,13S,16S,19R)-19-amino-13-benzyl-16-(3-guanidinopropyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-hydroxybutanamido)-3-methylbutanamido)pentanediamide |
|---|---|
| IUPAC Name | (S)-N1-((2S,5S,8S,11S,14S,17S,20S)-11-((1H-imidazol-4-yl)methyl)-1,24-diamino-8-(3-amino-3-oxopropyl)-5-((S)-sec-butyl)-2-(4-hydroxybenzyl)-17-isobutyl-14-methyl-1,4,7,10,13,16,19-heptaoxo-3,6,9,12,15,18-hexaazatetracosan-20-yl)-2-((S)-2-((2S,3R)-2-((4R,7S,13S,16S,19R)-19-amino-13-benzyl-16-(3-guanidinopropyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-hydroxybutanamido)-3-methylbutanamido)pentanediamide |
| Molecular Formula | C82H129N25O21S2 |
| Molecular Weight | 1865.22 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O |
| InChI Key | UYSITIBGEJGZGX-FXMFISEGSA-N |
| Synonym | H-CYS-ARG-PHE-GLY-THR-CYS-THR-VAL-GLN-LYS-LEU-ALA-HIS-GLN-ILE-TYR-NH2;H-CYS-ARG-PHE-GLY-THR-CYS-THR-VAL-GLN-LYS-LEU-ALA-HIS-GLN-ILE-TYR-NH2 (DISULFIDE BRIDGE: 1-6);CYS-ARG-PHE-GLY-THR-CYS-THR-VAL-GLN-LYS-LEU-ALA-HIS-GLN-ILE-TYR-NH2;CRFGTCTVQKLAHQIY-NH2(DISULFIDE BRIDGE 1-6);ADRENOMEDULLIN (16-31) (HUMAN, PIG);CYS-ARG-PHE-GLY-THR-CYS-THR-VAL-GLN-LYS-LEU-ALA-HIS-GLN-ILE-TYR-NH2 (DISULFIDE BRIDGE:CYS1-CYS6);CYS-ARG-PHE-GLY-THR-CYS-THR-VAL-GLN-LYS-LEU-ALA-HIS-GLN-ILE-TYR-NH2: CRFGTCTVQKLAHQIY-NH2DISULFIDE BRIDGE CYS16-CYS21;Adrenomedullin (16-31), human |
| CAS No. | 318480-38-5 |
Synthetic Route by SureRoute
2. ACDLEG180 Molecular Building Block Synthetic Route
Pramlintide acetate
29-(2-(15-((1H-imidazol-4-yl)methyl)-6-(5-((1H-imidazol-4-yl)methyl)-17-amino-11-(2-amino-2-oxoethyl)-8-(3-amino-3-oxopropyl)-2-isobutyl-14-isopropyl-4,7,10,13,16-pentaoxo-18-phenyl-3,6,9,12,15-pentaazaoctadecanamido)-47-((3-amino-1-carboxy-3-oxopropyl)carbamoyl)-88-(14-amino-2-(3-amino-3-oxopropyl)-11-(sec-butyl)-5-(2-carboxyethyl)-8-isopropyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-53-(2-amino-2-oxoethyl)-62-(3-amino-3-oxopropyl)-77-(sec-butyl)-24,56-bis(2-carboxyethyl)-33,50,65-tris(4-hydroxybenzyl)-83-(1-hydroxyethyl)-12,71,80-tris(hydroxymethyl)-18,30,36,59,68-pentaisobutyl-21,39-diisopropyl-27-methyl-7,10,13,16,19,22,25,28,31,34,37,40,49,52,55,58,61,64,67,70,73,76,79,82,85,87-hexacosaoxo-3,4,44,45,90,91-hexathia-8,11,14,17,20,23,26,29,32,35,38,41,48,51,54,57,60,63,66,69,72,75,78,81,84,86-hexacosaazabicyclo[72.11.7]dononacontane-42-carboxamido)acetamido)-5-(4-aminobutyl)-17,20-dibenzyl-8-(carboxymethyl)-26-(3-guanidinopropyl)-14-(4-hydroxybenzyl)-2,11-bis(1-hydroxyethyl)-4,7,10,13,16,19,22,25,28-nonaoxo-3,6,9,12,15,18,21,24,27-nonaazadotriacontanedioic acid
((3S,6S,9S,12S,15S,18S,24S,27R,30S,33S,39S,42S,45S,48R,53R,56S,59S,62S,71S,74R,89R,94aS,99R)-53-((S)-4-amino-2-((S)-2-((S)-2-((S)-2-amino-3-carboxypropanamido)-3-(1H-imidazol-4-yl)propanamido)-3-(4-hydroxyphenyl)propanamido)-4-oxobutanamido)-18,71-bis(3-amino-3-oxopropyl)-12,39,45-tris(4-aminobutyl)-6-benzyl-3,15-di((S)-sec-butyl)-33-(3-guanidinopropyl)-30,80-bis(4-hydroxybenzyl)-9,24-bis((R)-1-hydroxyethyl)-59,62,83-tris(hydroxymethyl)-77-isobutyl-56-isopropyl-42,86-dimethyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,54,57,60,63,66,69,72,75,78,81,84,87,90,101-triacontaoxononacontahydro-1H,52H-89,48-(methanodithioethanoiminomethano)-27,74-(methanodithiomethano)pyrrolo[2,1-z1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89]nonacosaazacyclodononacontine-99-carbonyl)-L-lysine