| CAS Number | 1104874-94-3 |
| Catalog Number | AG01EOJO(AGN-PC-3H46ED) |
| Chemical Name | MHP |
| IUPAC Name | methyl (2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoate |
| InChI | InChI=1S/C16H23NO4/c1-3-4-5-6-15(19)17-14(16(20)21-2)11-12-7-9-13(18)10-8-12/h7-10,14,18H,3-6,11H2,1-2H3,(H,17,19)/t14-/m0/s1 |
| InChI Key | GBTVWZMJUZJPBU-AWEZNQCLSA-N |
| MDL Number | MFCD31382170 |
| Molecular Formula | C16H23NO4 |
| Molecular Weight | 293.3581 |
| SMILES | OC(C=C1)=CC=C1C[C@@H](C(OC)=O)NC(CCCCC)=O |
| UNII | 8GJP2KSJ0T |
| Synonyms | Defensamide,
1104874-94-3,
UNII-8GJP2KSJ0T,
N-Hexanoyltyrosine methyl ester,
8GJP2KSJ0T,
(S)-Methyl 2-(hexanamido)-3-(4-hydroxyphenyl)propanoate,
MHP,
Defensamide(MHP),
methyl caprooyl tyrosinate,
L-Tyrosine, N-(1-oxohexyl)-, methyl ester,
SCHEMBL43741,
DTXSID40149265,
GBTVWZMJUZJPBU-AWEZNQCLSA-N,
BCP29060,
ZINC112987456,
CS-6839,
HY-101572,
methyl(2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoate,
methyl (2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoate,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.363g/mol |
| Monoisotopic Mass | 293.163g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number