| CAS Number | 214750-73-9 |
| Catalog Number | AG00BEV0(AGN-PC-0QY13A) |
| Chemical Name | Fmoc-Dab(Adpoc)-OH |
| IUPAC Name | (2S)-4-[2-(1-adamantyl)propan-2-yloxycarbonylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C33H40N2O6/c1-32(2,33-16-20-13-21(17-33)15-22(14-20)18-33)41-30(38)34-12-11-28(29(36)37)35-31(39)40-19-27-25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-10,20-22,27-28H,11-19H2,1-2H3,(H,34,38)(H,35,39)(H,36,37)/t20?,21?,22?,28-,33?/m0/s1 |
| InChI Key | UOOQRZIEHJXWJE-ZAEVYNLBSA-N |
| MDL Number | MFCD01632073 |
| Molecular Formula | C33H40N2O6 |
| Molecular Weight | 560.6805 |
| SMILES | O=C(N[C@H](C(=O)O)CCNC(=O)OC(C12CC3CC(C2)CC(C1)C3)(C)C)OCC1c2ccccc2-c2c1cccc2 |
| Synonyms | Fmoc-Dab(Adpoc)-OH,
214750-73-9,
6815AH,
MFCD01632073,
ZINC71788135,
750F739,
(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-[[(1-methyl-1-adamantylethoxy)carbonyl]amino]butanoic acid,
C33H40N2O6,
|
| Complexity | 933 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 560.289g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 560.691g/mol |
| Monoisotopic Mass | 560.289g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number