| CAS Number | 40290-77-5 |
| Catalog Number | AG00C7RS(AGN-PC-0OA0WF) |
| Chemical Name | H-Leu-Ser-Phe-OH |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoic acid |
| InChI | InChI=1S/C18H27N3O5/c1-11(2)8-13(19)16(23)21-15(10-22)17(24)20-14(18(25)26)9-12-6-4-3-5-7-12/h3-7,11,13-15,22H,8-10,19H2,1-2H3,(H,20,24)(H,21,23)(H,25,26)/t13-,14-,15-/m0/s1 |
| InChI Key | IWMJFLJQHIDZQW-KKUMJFAQSA-N |
| MDL Number | MFCD00057836 |
| Molecular Formula | C18H27N3O5 |
| Molecular Weight | 365.4241 |
| SMILES | OC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)[C@H](CC(C)C)N |
| Synonyms | H-LEU-SER-PHE-OH,
40290-77-5,
ZINC2522592,
KM5448,
MFCD00057836,
|
| Complexity | 477 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.43g/mol |
| Monoisotopic Mass | 365.195g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 142A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number