| CAS Number | 200336-86-3 |
| Catalog Number | AG002CPC(AGN-PC-0QRAUE) |
| Chemical Name | L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(1-methyl-1-phenylethyl) ester |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(2-phenylpropan-2-yloxy)butanoic acid |
| InChI | InChI=1S/C28H27NO6/c1-28(2,18-10-4-3-5-11-18)35-25(30)16-24(26(31)32)29-27(33)34-17-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h3-15,23-24H,16-17H2,1-2H3,(H,29,33)(H,31,32)/t24-/m0/s1 |
| InChI Key | MEAHCBOPNIDLFH-DEOSSOPVSA-N |
| MDL Number | MFCD00237012 |
| Molecular Formula | C28H27NO6 |
| Molecular Weight | 473.5171 |
| SMILES | O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC(OC(C)(C4=CC=CC=C4)C)=O |
| Synonyms | Fmoc-Asp(2-phenylisopropyl ester)-OH,
200336-86-3,
Fmoc-Asp(OPp)-OH;Fmoc-Asp(O-2-PhiPr)-OH,
C28H27NO6,
Fmoc-Asp(OPp)-OH,
FMOC-ASP(OPIS)-OH,
SCHEMBL15083398,
ZINC2560716,
6791AH,
AKOS025396538,
ACM200336863,
AK174591,
FT-0701007,
336F863,
Fmoc-L-aspartic acid beta-2-phenylisopropyl ester,
J-012960,
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-oxo-4-((2-phenylpropan-2-yl)oxy)butanoic acid,
(S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-oxo-4-(2-phenylpropan-2-yloxy)butanoic acid,
FMOC-ASP -OH,
Fmoc-Asp(O-2-PhiPr)-OH,
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| Complexity | 739 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 473.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 473.525g/mol |
| Monoisotopic Mass | 473.184g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number