| CAS Number | 143413-36-9 |
| Catalog Number | AG00HWW6(AGN-PC-0PTZJ3) |
| Chemical Name | Leu-trp-ome hcl |
| IUPAC Name | methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate;hydrochloride |
| InChI | InChI=1S/C18H25N3O3.ClH/c1-11(2)8-14(19)17(22)21-16(18(23)24-3)9-12-10-20-15-7-5-4-6-13(12)15;/h4-7,10-11,14,16,20H,8-9,19H2,1-3H3,(H,21,22);1H/t14-,16-;/m0./s1 |
| InChI Key | UWXXREJDKHROOB-DMLYUBSXSA-N |
| MDL Number | MFCD00155480 |
| Molecular Formula | C18H26ClN3O3 |
| Molecular Weight | 367.8703 |
| SMILES | COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CC(C)C)N.Cl |
| Synonyms | H-Leu-Trp-OMe.HCl,
LEU-TRP-OME HCL,
143413-36-9,
(L)-Leu-(L)-TrpOMe.HCl,
UWXXREJDKHROOB-DMLYUBSXSA-N,
KM5452,
MFCD00155480,
|
| Complexity | 441 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.166g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.874g/mol |
| Monoisotopic Mass | 367.166g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 97.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number