| CAS Number | 1420804-55-2 |
| Catalog Number | AG009X2B(AGN-PC-0WA2TL) |
| Chemical Name | (S)-1-Boc-4-[2-(cbz-amino)isopentanoyl]piperazine |
| IUPAC Name | tert-butyl 4-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C22H33N3O5/c1-16(2)18(23-20(27)29-15-17-9-7-6-8-10-17)19(26)24-11-13-25(14-12-24)21(28)30-22(3,4)5/h6-10,16,18H,11-15H2,1-5H3,(H,23,27)/t18-/m0/s1 |
| InChI Key | VCLPNMZPBKOAJL-SFHVURJKSA-N |
| MDL Number | MFCD22689108 |
| Molecular Formula | C22H33N3O5 |
| Molecular Weight | 419.5145 |
| SMILES | CC([C@@H](C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C |
| Synonyms | (S)-1-BOC-4-[2-(CBZ-AMINO)ISOPENTANOYL]PIPERAZINE,
1420804-55-2,
C22H33N3O5,
SCHEMBL17292360,
VCLPNMZPBKOAJL-SFHVURJKSA-N,
KM3988,
ZINC46630208,
V3167,
(S)-tert-butyl 4-(2-(((benzyloxy)carbonyl)amino)-3-methylbutanoyl)piperazine-1-carboxylate,
|
| Complexity | 588 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 419.242g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 419.522g/mol |
| Monoisotopic Mass | 419.242g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 88.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number