| CAS Number | 159700-51-3 |
| Catalog Number | AG00B10Q(AGN-PC-0Q7QV0) |
| Chemical Name | FMOC-CYS(NPYS)-OH |
| IUPAC Name | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3-nitropyridin-2-yl)disulfanyl]propanoic acid |
| InChI | InChI=1S/C23H19N3O6S2/c27-22(28)19(13-33-34-21-20(26(30)31)10-5-11-24-21)25-23(29)32-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-11,18-19H,12-13H2,(H,25,29)(H,27,28)/t19-/m0/s1 |
| InChI Key | POIHHIXLTDNIII-IBGZPJMESA-N |
| MDL Number | MFCD00065638 |
| Molecular Formula | C23H19N3O6S2 |
| Molecular Weight | 497.5435 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@H](C(=O)O)CSSC1=NC=CC=C1[N+](=O)[O-] |
| Synonyms | Fmoc-Cys(npys)-OH,
159700-51-3,
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-((3-nitropyridin-2-yl)disulfanyl)propanoic acid,
ZINC2539224,
6806AH,
MFCD00065638,
AKOS027253134,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-S-(3-nitro-2-pyridylthio)-L-cysteine,
(R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-((3-nitropyridin-2-yl)disulfanyl)propanoic acid,
C23H19N3O6S2,
ACN-033144,
L-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[(3-nitro-2-pyridinyl)dithio]- (9CI),
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| Complexity | 716 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 497.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 497.54g/mol |
| Monoisotopic Mass | 497.072g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 185A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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