Account (5R,8S,11S,14S,17S,20S)-11-((1H-imidazol-5-yl)methyl)-5-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-8-benzyl-20-carbamoyl-14-isobutyl-17-(2-(methylthio)ethyl)-6,9,12,15,18-pentaoxo-2-thia-7,10,13,16,19-pentaazadocosan-22-oic acid
- Catalog No. :
- ACGVNI527
- CAS No. :
- 119975-64-3
- Molecular Formula :
- C44H62N10O10S2
- Molecular Weight :
- 955.17
IUPAC Name:(5R,8S,11S,14S,17S,20S)-11-((1H-imidazol-5-yl)methyl)-5-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-8-benzyl-20-carbamoyl-14-isobutyl-17-(2-(methylthio)ethyl)-6,9,12,15,18-pentaoxo-2-thia-7,10,13,16,19-pentaazadocosan-22-oic acid
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Product Information
| Product Name | (5R,8S,11S,14S,17S,20S)-11-((1H-imidazol-5-yl)methyl)-5-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-8-benzyl-20-carbamoyl-14-isobutyl-17-(2-(methylthio)ethyl)-6,9,12,15,18-pentaoxo-2-thia-7,10,13,16,19-pentaazadocosan-22-oic acid |
|---|---|
| IUPAC Name | (5R,8S,11S,14S,17S,20S)-11-((1H-imidazol-5-yl)methyl)-5-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-8-benzyl-20-carbamoyl-14-isobutyl-17-(2-(methylthio)ethyl)-6,9,12,15,18-pentaoxo-2-thia-7,10,13,16,19-pentaazadocosan-22-oic acid |
| Molecular Formula | C44H62N10O10S2 |
| Molecular Weight | 955.17 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(=O)O)C(N)=O |
| InChI Key | BHSURCCZOBVHJJ-NWOHMYAQSA-N |
| Synonym | Deltorphin | 119975-64-3 | Dermenkephalin | Deltorphin A | CHEMBL20775 | CHEBI:81455 | L-alpha-Asparagine, L-tyrosyl-D-methionyl-L-phenylalanyl-L-histidyl-L-leucyl-L-methionyl- | (5R,8S,11S,14S,17S,20S)-11-((1H-imidazol-4-yl)methyl)-5-((S)-2-amino-3-(4-hydroxyphenyl)pr |
| CAS No. | 119975-64-3 |
| PubChem CID | 3035060 |
Synthetic Route by SureRoute
2. ACGVNI527 Molecular Building Block Synthetic Route
(5S,8S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-imidazol-5-yl)methyl)-32-amino-17,20-dibenzyl-5-carbamoyl-23-(carboxymethyl)-8-isobutyl-14-isopropyl-29-(2-(methylthio)ethyl)-7,10,13,16,19,22,25,28,31-nonaoxo-2-thia-6,9,12,15,18,21,24,27,30-nonaazatetratriacontan-34-oic acid--2,2,2-trifluoroacetic acid (1/2)
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(8S,11S)-8-((1H-Imidazol-5-yl)methyl)-N-((S)-6-ethanethioamido-1-(((10S,13S)-10-(2-(methylthio)ethyl)-9,12-dioxo-2-oxa-8,11-diaza-1(1,4)-benzenacyclotetradecaphane-13-yl)amino)-1-oxohexan-2-yl)-6,9-dioxo-2-oxa-7,10-diaza-1(1,4)-benzenacyclododecaphane-11-carboxamide