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Mca-YVADAP-Lys(Dnp)-OH - ≥95% , CAS No.189696-01-3
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal 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.
Specifications
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
| Canonical Smiles | CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)CC4=CC(=O)OC5=C4C=CC(=C5)OC |
|---|---|
| IUPAC Name | (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-6-(2,4-dinitroanilino)hexanoic acid |
| InChIKey | XLXKHBNLWUCNOC-XUFBPUFYSA-N |
| INCHI | 1S/C53H64N10O19/c1-27(2)46(60-49(71)38(21-30-11-14-33(64)15-12-30)57-43(65)22-31-23-45(68)82-42-25-34(81-5)16-17-35(31)42)51(73)55-28(3)47(69)59-39(26-44(66)67)48(70)56-29(4)52(74)61-20-8-10-40(61)50(72)58-37(53(75)76)9-6-7-19-54-36-18-13-32(62(77)78)24-41(36)63(79)80/h11-18,23-25,27-29,37-40,46,54,64H,6-10,19-22,26H2,1-5H3,(H,55,73)(H,56,70)(H,57,65)(H,58,72)(H,59,69)(H,60,71)(H,66,67)(H,75,76)/t28-,29-,37-,38-,39-,40-,46-/m0/s1 |
| Isomeric SMILES | C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)CC4=CC(=O)OC5=C4C=CC(=C5)OC |
| PubChem CID | 53229981 |
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
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 1145.100 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 27 |
| Exact Mass | 1144.43 Da |
| Monoisotopic Mass | 1144.43 Da |
| Topological Polar Surface Area | 429.000 Ų |
| Heavy Atom Count | 82 |
| Formal Charge | 0 |
| Complexity | 2370.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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