| CAS Number | 204199-67-7 |
| Catalog Number | AG0029BM(AGN-PC-0WBO5B) |
| Chemical Name | Boc-Leu-Psi(Ch2Nh)-Asp(Obzl)-OH |
| IUPAC Name | (2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-4-oxo-4-phenylmethoxybutanoic acid |
| InChI | InChI=1S/C22H34N2O6/c1-15(2)11-17(24-21(28)30-22(3,4)5)13-23-18(20(26)27)12-19(25)29-14-16-9-7-6-8-10-16/h6-10,15,17-18,23H,11-14H2,1-5H3,(H,24,28)(H,26,27)/t17-,18-/m0/s1 |
| InChI Key | AUVZCWDQLBTZGO-ROUUACIJSA-N |
| MDL Number | MFCD00273438 |
| Molecular Formula | C22H34N2O6 |
| Molecular Weight | 422.5152 |
| SMILES | CC(C[C@H](NC(=O)OC(C)(C)C)CN[C@H](C(=O)[O-])CC(=O)OCc1ccccc1)C |
| Synonyms | Boc-Leu-psi(CH2NH)-Asp(OBzl)-OH,
204199-67-7,
AC1MBSM0,
CTK8E7200,
DTXSID30373193,
ZINC6883741,
6387AH,
MFCD00273438,
AKOS025294857,
RT-011781,
K-5962,
(2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-4-oxo-4-phenylmethoxybutanoic acid,
C22H34N2O6,
CID2756018,
CID 2756018,
(2s)-2-[[(2s)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylam,
|
| Complexity | 552 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 422.242g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 422.522g/mol |
| Monoisotopic Mass | 422.242g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number