| CAS Number | 201046-61-9 |
| Catalog Number | AG002D68(AGN-PC-0QRUZ0) |
| Chemical Name | N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N5-(2-pyrazinylcarbonyl)-L-ornithine |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid |
| InChI | InChI=1S/C25H24N4O5/c30-23(22-14-26-12-13-27-22)28-11-5-10-21(24(31)32)29-25(33)34-15-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,12-14,20-21H,5,10-11,15H2,(H,28,30)(H,29,33)(H,31,32)/t21-/m0/s1 |
| InChI Key | IXGWLRHVNNSPOY-NRFANRHFSA-N |
| MDL Number | MFCD00672336 |
| Molecular Formula | C25H24N4O5 |
| Molecular Weight | 460.4819 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](CCCNC(=O)C1=NC=CN=C1)C(=O)O |
| Synonyms | Fmoc-Orn(Pyrazic)-OH,
201046-61-9,
Fmoc-Orn(pyrazinylcarbonyl)-OH,
N-Fmoc-N'-pyrazinylcarbonyl-L-ornithine,
N~2~-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N~5~-(2-pyrazinylcarbonyl)-L-ornithine,
ZINC2567628,
6977AH,
MFCD00672336,
ACM201046619,
FT-0643874,
046F619,
C-22594,
(S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-5-(pyrazine-2-carboxamido)pentanoic acid,
L-Ornithine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N5-(2-pyrazinylcarbonyl)-,
C25H24N4O5,
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| Complexity | 697 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 460.175g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 460.49g/mol |
| Monoisotopic Mass | 460.175g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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