| CAS Number | 200954-39-8 |
| Catalog Number | AG00BJXZ(AGN-PC-0O72FS) |
| Chemical Name | Dilept |
| IUPAC Name | methyl (2S)-2-[[(2S)-1-hexanoylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate |
| InChI | InChI=1S/C21H30N2O5/c1-3-4-5-8-19(25)23-13-6-7-18(23)20(26)22-17(21(27)28-2)14-15-9-11-16(24)12-10-15/h9-12,17-18,24H,3-8,13-14H2,1-2H3,(H,22,26)/t17-,18-/m0/s1 |
| InChI Key | HNWPAYLOEFDTJN-ROUUACIJSA-N |
| MDL Number | MFCD24387534 |
| Molecular Formula | C21H30N2O5 |
| Molecular Weight | 390.4733 |
| SMILES | CCCCCC(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC |
| Synonyms | caproylprolyltyrosine methyl ester,
dilept,
GZR 123,
Dilept,
GZR 123,
GZR-123,
ZINC95642074,
NCGC00386670-01,
200954-39-8,
N-caproyl-l-prolyl-l-tyrosine methyl ester,
(S)-methyl 2-((S)-1-hexanoylpyrrolidine-2-carboxamido)-3-(4-hydroxyphenyl)propanoate,
Dilept - GZR 123,
CID9821787,
Methyl (2S)-2-[[(2S)-1-hexanoylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate,
|
| Complexity | 531 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 390.48g/mol |
| Monoisotopic Mass | 390.215g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number