| CAS Number | 114290-82-3 |
| Catalog Number | AG008XDT(AGN-PC-0P6288) |
| Chemical Name | Boc-Phe-(R)-Phe-OH |
| IUPAC Name | (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]-3-phenylpropanoic acid |
| InChI | InChI=1S/C23H30N2O4/c1-23(2,3)29-22(28)25-19(14-17-10-6-4-7-11-17)16-24-20(21(26)27)15-18-12-8-5-9-13-18/h4-13,19-20,24H,14-16H2,1-3H3,(H,25,28)(H,26,27)/t19-,20-/m0/s1 |
| InChI Key | BVSUKFSKSHVDST-PMACEKPBSA-N |
| MDL Number | MFCD00237441 |
| Molecular Formula | C23H30N2O4 |
| Molecular Weight | 398.4953 |
| SMILES | CC(C)(C)OC(=O)N[C@H](CN[C@@H](Cc1ccccc1)C(O)=O)Cc1ccccc1 |
| Synonyms | Boc-Phe-(R)-Phe-OH,
114290-82-3,
Boc-Phe-D-Phe-OH,
AC1MBSM6,
Boc-Phe-(?)-Phe-OH,
SCHEMBL18645283,
ZINC2560815,
SC-26208,
FT-0642781,
C-21679,
(S)-2-((S)-2-(tert-butoxycarbonylamino)-3-phenylpropylamino)-3-phenylpropanoic acid,
(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]-3-phenylpropanoic acid,
boc-phe-()-phe-oh,
BVSUKFSKSHVDST-PMACEKPBSA-N,
CID2756020,
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]amino]-3-phenyl-propanoic Acid,
|
| Complexity | 506 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 398.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 398.503g/mol |
| Monoisotopic Mass | 398.221g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number