| CAS Number | 200926-18-7 |
| Catalog Number | AG002D2T(AGN-PC-0WD1GL) |
| Chemical Name | D-Histidine, N,1-bis[(9H-fluoren-9-ylmethoxy)carbonyl]- |
| IUPAC Name | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(9H-fluoren-9-ylmethoxycarbonyl)imidazol-4-yl]propanoic acid |
| InChI | InChI=1S/C36H29N3O6/c40-34(41)33(38-35(42)44-19-31-27-13-5-1-9-23(27)24-10-2-6-14-28(24)31)17-22-18-39(21-37-22)36(43)45-20-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-16,18,21,31-33H,17,19-20H2,(H,38,42)(H,40,41)/t33-/m1/s1 |
| InChI Key | WTBXFPFCUZKREB-MGBGTMOVSA-N |
| MDL Number | MFCD00077057 |
| Molecular Formula | C36H29N3O6 |
| Molecular Weight | 599.6320 |
| SMILES | O=C(O)[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CN(C(OCC5C6=C(C7=C5C=CC=C7)C=CC=C6)=O)C=N4 |
| Synonyms | Fmoc-D-His(Fmoc)-OH,
200926-18-7,
DTXSID70679580,
ZINC2555085,
MFCD00077057,
AKOS015950652,
AB1002870,
N,1-Bis[(9H-fluoren-9-ylmethoxy)carbonyl]-D-histidine,
D-Histidine, N,1-bis[(9H-fluoren-9-ylmethoxy)carbonyl]-,
N,1-Bis{[(9H-fluoren-9-yl)methoxy]carbonyl}-D-histidine,
N,1-Bis-Fmoc-D-histidine,
N,N'-Bis(9-fluorenylmethyloxycarbonyl)-L-histidine,
98929-98-7,
|
| Complexity | 1030 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 599.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 45 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 599.643g/mol |
| Monoisotopic Mass | 599.206g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number