Account 22-((1H-indol-3-yl)methyl)-37-(2-(2-(6-amino-2-(2-(4-carboxy-2-(5-guanidino-2-(1-(serylasparaginylprolylalanylmethionylalanyl)pyrrolidine-2-carboxamido)pentanamido)butanamido)-5-guanidinopentanamido)hexanamido)propanamido)acetamido)-31-(2-amino-2-oxoethyl)-19,34-bis(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-4-carboxylic acid
- Catalog No. :
- ACUYYQ372
- CAS No. :
- 76461-17-1
- Molecular Formula :
- C127H191N37O34S3
- Molecular Weight :
- 2876.35
IUPAC Name:22-((1H-indol-3-yl)methyl)-37-(2-(2-(6-amino-2-(2-(4-carboxy-2-(5-guanidino-2-(1-(serylasparaginylprolylalanylmethionylalanyl)pyrrolidine-2-carboxamido)pentanamido)butanamido)-5-guanidinopentanamido)hexanamido)propanamido)acetamido)-31-(2-amino-2-oxoethyl)-19,34-bis(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-4-carboxylic acid
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Product Information
| Product Name | 22-((1H-indol-3-yl)methyl)-37-(2-(2-(6-amino-2-(2-(4-carboxy-2-(5-guanidino-2-(1-(serylasparaginylprolylalanylmethionylalanyl)pyrrolidine-2-carboxamido)pentanamido)butanamido)-5-guanidinopentanamido)hexanamido)propanamido)acetamido)-31-(2-amino-2-oxoethyl)-19,34-bis(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-4-carboxylic acid |
|---|---|
| IUPAC Name | 22-((1H-indol-3-yl)methyl)-37-(2-(2-(6-amino-2-(2-(4-carboxy-2-(5-guanidino-2-(1-(serylasparaginylprolylalanylmethionylalanyl)pyrrolidine-2-carboxamido)pentanamido)butanamido)-5-guanidinopentanamido)hexanamido)propanamido)acetamido)-31-(2-amino-2-oxoethyl)-19,34-bis(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-4-carboxylic acid |
| Molecular Formula | C127H191N37O34S3 |
| Molecular Weight | 2876.35 |
| SMILES | CSCCC(NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(N)CO)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NCC(=O)NC1CSSCC(C(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC1=O |
| InChI Key | ULSWSROTDLVALI-UHFFFAOYSA-N |
| Synonym | SOMATOSTATIN-25;SNPAMAPRERKAGCKNFFWKTFTSC;SER-ASN-PRO-ALA-MET-ALA-PRO-ARG-GLU-ARG-LYS-ALA-GLY-CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-THR-SER-CYS;SER-ASN-PRO-ALA-MET-ALA-PRO-ARG-GLU-ARG-LYS-ALA-GLY- CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-THR-SER-CYS(DISULFIDE BRIDGE: CYS14-CYS25);H-SER-ASN-PRO-ALA-MET-ALA-PRO-ARG-GLU-ARG-LYS-ALA-GLY-CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-THR-SER-CYS-OH;(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-37-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]propanoyl]amino]acetyl]amino]-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1~{;Somatostatin-25 (sheep) (9CI) |
| CAS No. | 76461-17-1 |
Synthetic Route by SureRoute
2. ACUYYQ372 Molecular Building Block Synthetic Route
22-((1H-indol-3-yl)methyl)-37-(2-(2-(6-amino-2-(2-(4-carboxy-2-(5-guanidino-2-(1-(serylalanylasparaginylserylasparaginylprolylalanylmethionylalanyl)pyrrolidine-2-carboxamido)pentanamido)butanamido)-5-guanidinopentanamido)hexanamido)propanamido)acetamido)-31-(2-amino-2-oxoethyl)-19,34-bis(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-4-carboxylic acid
((3S,6S,9S,12R,17R,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,53S,58aS)-26,32-bis((1H-indol-3-yl)methyl)-17-((S)-6-amino-2-((S)-2-amino-3-phenylpropanamido)hexanamido)-29-(3-amino-3-oxopropyl)-41,44-bis(4-aminobutyl)-6-((S)-sec-butyl)-20,23,35-tris(3-guanidinopropyl)-9-((R)-1-hydroxyethyl)-3-(hydroxymethyl)-47-isobutyl-53-methyl-38-(2-(methylthio)ethyl)-1,4,7,10,18,21,24,27,30,33,36,39,42,45,48,51,54-heptadecaoxotetrapentacontahydro-1H,16H-pyrrolo[2,1-p][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53]heptadecaazacyclohexapentacontine-12-carbonyl)-L-valyl-L-arginyl-L-arginyl-L-alanyl-L-phenylalanine--acetic acid (1/1)
(6S,9S,12S,15S)-1,15-diamino-6-(((3R,8R,11S,14S,20S,23S,26S,29S,34aS)-3-(((S)-1-(((S)-4-carboxy-1-(((S)-1-carboxy-2-methylpropyl)amino)-1-oxobutan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-20,29-bis(3-guanidinopropyl)-26-(4-hydroxybenzyl)-14,23-diisopropyl-11-(2-(methylthio)ethyl)-1,9,12,15,18,21,24,27,30-nonaoxodotriacontahydropyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20,23,26,29]nonaazacyclodotriacontin-8-yl)carbamoyl)-12-((R)-1-hydroxyethyl)-1-imino-9-(2-(methylthio)ethyl)-8,11,14-trioxo-2,7,10,13-tetraazaheptadecan-17-oic acid