Account 13-((1H-indol-3-yl)methyl)-19-(2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide diacetate
- Catalog No. :
- ACITHJ893
- CAS No. :
- 79517-01-4
- Molecular Formula :
- C53H74N10O14S2
- Molecular Weight :
- 1139.36
IUPAC Name:13-((1H-indol-3-yl)methyl)-19-(2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide diacetate
Pack SizePurityList PriceYour PriceGlobal StockUS StockQuantity
No pack options available.
Products of AiFChem are all designed for scientific research only. Under no circumstances do we provide products or services for animal or personal utilization.
0 Reviews:View Reviews
Product Information
| Product Name | 13-((1H-indol-3-yl)methyl)-19-(2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide diacetate |
|---|---|
| IUPAC Name | 13-((1H-indol-3-yl)methyl)-19-(2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide diacetate |
| Molecular Formula | C53H74N10O14S2 |
| Molecular Weight | 1139.36 |
| SMILES | CC(=O)O.CC(=O)O.CC(O)C1NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(NC(=O)C(N)CC2=CC=CC=C2)CSSCC(C(=O)N[C@H](CO)[C@@H](C)O)NC1=O |
| InChI Key | QWFYIFWTVZFPRY-AARKYNAGSA-N |
| Synonym | SANDOSTATIN;SMS-201-995;[r-(r*,r*)]-d-phenylalanyl-l-cysteinyl-l-phenylalanyl-d-tryptophyl-l-lysyl-l-threonyl-n-[2-hydroxy-1-(hydroxy-methyl)propyl]-cysteinamide cyclic(2->7)-disulfide;OCTREOTIDE;OCTREOTIDE (SMS 201-995), ACETATE;cyclic(2-7)-disulfide,(r-l-threonyl-n-(2-hydroxy-1-(hydroxymethyl)propyl);Octreotide (D-Phe5,Cys6·11,D-Trp8,L-Threoninol12)-SoMatostatin-14 (5-12), SMS-201-995;D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxyMethyl)propyl]- |
| CAS No. | 79517-01-4 |
Synthetic Route by SureRoute
2. ACITHJ893 Molecular Building Block Synthetic Route
(4R,7S,10S,13R,16S,19R)-13-((1H-Indol-3-yl)methyl)-10-(4-aminobutyl)-16-benzyl-N-((S)-1,6-diamino-1-oxohexan-2-yl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-19-((S)-pyrrolidine-2-carboxamido)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
2,2',2''-(10-(2-(((R)-1-(((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-4-(((2R,3R)-1,3-dihydroxybutan-2-yl)carbamoyl)-7-((R)-1-hydroxyethyl)-16-(naphthalen-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
TLN-232