| CAS Number | 343770-23-0 |
| Catalog Number | AG00BYZC(AGN-PC-0R9RIM) |
| Chemical Name | Fmoc-orn(mtt)-oh |
| IUPAC Name | (2S)-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-/m0/s1 |
| InChI Key | RRYSGISHZIBOJC-QNGWXLTQSA-N |
| MDL Number | MFCD00797872 |
| Molecular Formula | C40H38N2O4 |
| Molecular Weight | 610.7407 |
| SMILES | O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CCCNC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C)C=C6 |
| Synonyms | 343770-23-0,
FMOC-ORN(MTT)-OH,
Fmoc-(Nd-4-methyltrityl)-L-ornithine,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-((diphenyl(p-tolyl)methyl)amino)pentanoic acid,
0959AE,
MFCD00797872,
AKOS025286134,
ZINC100234337,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-delta-methyltrityl-L-ornithine,
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-{[(4-methylphenyl)diphenylmethyl]amino}pentanoic acid,
Fmoc-D-Phe-OH,
C40H38N2O4,
CB10585,
86123-10-6,
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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 |
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Certificate of Analysis
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