| CAS Number | 131669-42-6 |
| Catalog Number | AG009DOO(AGN-PC-0PJIBB) |
| Chemical Name | (2S,3S)-Fmoc-abu(3-n3)-oh |
| IUPAC Name | (2S,3S)-3-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C19H18N4O4/c1-11(22-23-20)17(18(24)25)21-19(26)27-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17H,10H2,1H3,(H,21,26)(H,24,25)/t11-,17-/m0/s1 |
| InChI Key | LLJMYBCJYQGZOS-GTNSWQLSSA-N |
| MDL Number | MFCD21363164 |
| Molecular Formula | C19H18N4O4 |
| Molecular Weight | 366.3706 |
| SMILES | C(OC(N[C@@H]([C@@H](N=[N+]=[N-])C)C(O)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2 |
| Synonyms | 131669-42-6,
(2S,3S)-Fmoc-abu(3-n3)-oh,
MFCD21363164,
AKOS030212502,
ZINC169722894,
(2S,3S)-(Fmoc-amino)-3-azidobutyric acid,
(2S,3S)-2-(9-Fluorenylmethyloxycarbonyl)amino-3-azido-butanoic acid,
(2s,3s)-2-(fmoc-amino)-3-azidobutanoic acid,
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| Complexity | 585 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.377g/mol |
| Monoisotopic Mass | 366.133g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 90A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number