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Tuna AI , CAS No.117620-76-5
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Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
Tuna AI, an angiotensin-converting enzyme (ACE) inhibitor, exhibits IC 50 values of 1 μM and 2 μM for ACEs from bovine and rabbit lungs, respectively.
Specifications
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
| Canonical Smiles | CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(C(C)O)NC(=O)C4CCCN4 |
|---|---|
| IUPAC Name | (2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]butanedioic acid |
| InChIKey | QEULPEXEDWQVEI-DAZSAYDVSA-N |
| INCHI | 1S/C44H64N12O12/c1-4-23(2)36(55-41(64)32(17-26-20-46-22-50-26)54-43(66)37(24(3)57)56-39(62)29-13-9-15-47-29)42(65)52-30(12-7-8-14-45)40(63)53-31(16-25-19-48-28-11-6-5-10-27(25)28)38(61)49-21-34(58)51-33(44(67)68)18-35(59)60/h5-6,10-11,19-20,22-24,29-33,36-37,47-48,57H,4,7-9,12-18,21,45H2,1-3H3,(H,46,50)(H,49,61)(H,51,58)(H,52,65)(H,53,63)(H,54,66)(H,55,64)(H,56,62)(H,59,60)(H,67,68)/t23-,24+,29-,30-,31-,32-,33-,36-,37-/m0/s1 |
| Isomeric SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]4CCCN4 |
| PubChem CID | 9963052 |
| MeSH Entry Terms | Pro-Thr-His-Ile-Lys-Trp-Gly-Asp;prolyl-threonyl-histidyl-isoleucyl-lysyl-trptophyl-glycyl-aspartic acid;tuna AI |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
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View spec sheet →Advanced Data
3D Structure
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