| CAS Number | 1263047-22-8 |
| Catalog Number | AG000SJ9(AGN-PC-0WBO9I) |
| Chemical Name | Butanoic acid, 4-[(2,4-dinitrophenyl)amino]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)- |
| IUPAC Name | (2S)-4-(2,4-dinitroanilino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C25H22N4O8/c30-24(31)22(11-12-26-21-10-9-15(28(33)34)13-23(21)29(35)36)27-25(32)37-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,13,20,22,26H,11-12,14H2,(H,27,32)(H,30,31)/t22-/m0/s1 |
| InChI Key | HBHWAVNNODKLBE-QFIPXVFZSA-N |
| MDL Number | MFCD01632074 |
| Molecular Formula | C25H22N4O8 |
| Molecular Weight | 506.4642 |
| SMILES | C(OC(N[C@@H](CCNC1=C(N(=O)=O)C=C(N(=O)=O)C=C1)C(O)=O)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3 |
| Synonyms | Fmoc-Dab(Dnp)-OH,
1263047-22-8,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((2,4-dinitrophenyl)amino)butanoic acid,
Fmoc-L-Dab(Dnp)-OH,
6923AH,
MFCD01632074,
ZINC15722232,
AKOS030212447,
A-8216,
Na-Fmoc-Ng-(2,4-dinitrophenyl)-L-2,4-diaminobutyric acid,
Butanoic acid, 4-[(2,4-dinitrophenyl)amino]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-gamma-(2,4-dinitrophenyl)-L-2,4-diaminobutyric acid,
C25H22N4O8,
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| Complexity | 824 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 506.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 506.471g/mol |
| Monoisotopic Mass | 506.144g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 179A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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Certificate of Analysis
Lot Number