| CAS Number | 1185841-84-2 |
| Catalog Number | AG00HEML(AGN-PC-0WR0K3) |
| Chemical Name | Fmoc-l-arg(me)2(pbf)-oh |
| IUPAC Name | (2S)-5-[[dimethylamino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid |
| InChI | InChI=1S/C36H44N4O7S/c1-21-22(2)32(23(3)28-19-36(4,5)47-31(21)28)48(44,45)39-34(40(6)7)37-18-12-17-30(33(41)42)38-35(43)46-20-29-26-15-10-8-13-24(26)25-14-9-11-16-27(25)29/h8-11,13-16,29-30H,12,17-20H2,1-7H3,(H,37,39)(H,38,43)(H,41,42)/t30-/m0/s1 |
| InChI Key | QQJCGHJCOJVEGE-PMERELPUSA-N |
| MDL Number | MFCD15141977 |
| Molecular Formula | C36H44N4O7S |
| Molecular Weight | 676.8222 |
| SMILES | CC1(C)CC2=C(C)C(S(=O)(N/C(N(C)C)=N/CCC[C@@H](C(O)=O)NC(OCC3C4=C(C=CC=C4)C5=C3C=CC=C5)=O)=O)=C(C)C(C)=C2O1 |
| Synonyms | 1185841-84-2,
Fmoc-l-arg(me)2(pbf)-oh,
Fmoc-adma(pbf)-oh,
MFCD08064313,
ZINC97950243,
N-alpha-Fmoc-Nomega, Nomega-dimethyl-Nomega'-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine,
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| Complexity | 1260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 676.293g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 48 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 676.829g/mol |
| Monoisotopic Mass | 676.293g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 155A^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