| CAS Number | 21754-25-6 |
| Catalog Number | AG00BJLR(AGN-PC-0QYAV0) |
| Chemical Name | Cyclo(L-Tyr-L-Val) |
| IUPAC Name | 3-[(4-hydroxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione |
| InChI | InChI=1S/C14H18N2O3/c1-8(2)12-14(19)15-11(13(18)16-12)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7H2,1-2H3,(H,15,19)(H,16,18) |
| InChI Key | LMDVFSHGYANGRP-UHFFFAOYSA-N |
| MDL Number | MFCD21333416 |
| Molecular Formula | C14H18N2O3 |
| Molecular Weight | 262.3043 |
| SMILES | O=C([C@H](C(C)C)N1)N[C@@H](CC2=CC=C(O)C=C2)C1=O |
| Synonyms | Cyclo(Tyr-Val),
21754-25-6,
Cyclo(Val-Tyr),
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.309g/mol |
| Monoisotopic Mass | 262.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number