| CAS Number | 1491158-62-3 |
| Catalog Number | AG00HXOP(AGN-PC-0WR42L) |
| Chemical Name | Fmoc-l-lys(palm-l-glu-otbu)-oh |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-4-(hexadecanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]hexanoic acid |
| InChI | InChI=1S/C46H69N3O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-29-42(51)48-40(44(54)57-46(2,3)4)30-31-41(50)47-32-23-22-28-39(43(52)53)49-45(55)56-33-38-36-26-20-18-24-34(36)35-25-19-21-27-37(35)38/h18-21,24-27,38-40H,5-17,22-23,28-33H2,1-4H3,(H,47,50)(H,48,51)(H,49,55)(H,52,53)/t39-,40-/m0/s1 |
| InChI Key | LQQXBYSAGYOQJW-ZAQUEYBZSA-N |
| MDL Number | MFCD27952849 |
| Molecular Formula | C46H69N3O8 |
| Molecular Weight | 792.0554 |
| SMILES | O=C(O)[C@H](CCCCNC(CC[C@@H](C(OC(C)(C)C)=O)NC(CCCCCCCCCCCCCCC)=O)=O)NC(OCC2C1=C(C3=C2C=CC=C3)C=CC=C1)=O |
| Synonyms | 1491158-62-3,
Fmoc-l-lys(palm-l-glu-otbu)-oh,
Fmoc-Lys(palmitoyl-Glu-OtBu)-OH,
SCHEMBL15387434,
MFCD27952849,
AKOS027256544,
ZINC205660988,
CS-0038825,
FT-0701133,
(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-4-(hexadecanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]hexanoic acid,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-((S)-5-(tert-butoxy)-5-oxo-4-palmitamidopentanamido)hexanoic acid,
Fmoc-Lys(Pal-Glu-OtBu)-OH,
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| Complexity | 1180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 791.508g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 57 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 792.071g/mol |
| Monoisotopic Mass | 791.508g/mol |
| Rotatable Bond Count | 31 |
| Topological Polar Surface Area | 160A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 10.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number