| CAS Number | 198545-20-9 |
| Catalog Number | AG002BLZ(AGN-PC-0WBO3I) |
| Chemical Name | D-Ornithine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N5-[(4-methylphenyl)diphenylmethyl]- |
| IUPAC Name | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[(4-methylphenyl)-diphenylmethyl]amino]pentanoic acid |
| InChI | InChI=1S/C40H38N2O4/c1-28-22-24-31(25-23-28)40(29-13-4-2-5-14-29,30-15-6-3-7-16-30)41-26-12-21-37(38(43)44)42-39(45)46-27-36-34-19-10-8-17-32(34)33-18-9-11-20-35(33)36/h2-11,13-20,22-25,36-37,41H,12,21,26-27H2,1H3,(H,42,45)(H,43,44)/t37-/m1/s1 |
| InChI Key | RRYSGISHZIBOJC-DIPNUNPCSA-N |
| MDL Number | MFCD00797879 |
| Molecular Formula | C40H38N2O4 |
| Molecular Weight | 610.7407 |
| SMILES | Cc1ccc(cc1)C(NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)(c1ccccc1)c1ccccc1 |
| Synonyms | 198545-20-9,
Fmoc-(Nd-4-methyltrityl)-D-ornithine,
Fmoc-d-orn(mtt)-oh,
SCHEMBL5967470,
6689AD,
MFCD00797879,
AKOS027253140,
ZINC100238961,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-gamma-methyltrityl-D-ornithine,
D-Ornithine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N5-[(4-methylphenyl)diphenylmethyl]-,
(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-{[(4-methylphenyl)diphenylmethyl]amino}pentanoic acid,
C40H38N2O4,
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-((diphenyl(p-tolyl)methyl)amino)pentanoic acid,
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| Complexity | 926 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 610.283g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 610.754g/mol |
| Monoisotopic Mass | 610.283g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number