| CAS Number | 19635-96-2 |
| Catalog Number | AG00APZE(AGN-PC-0QOBKS) |
| Chemical Name | H-LEU-NHNH-Z TFA |
| IUPAC Name | benzyl N-[[(2S)-2-amino-4-methylpentanoyl]amino]carbamate;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C14H21N3O3.C2HF3O2/c1-10(2)8-12(15)13(18)16-17-14(19)20-9-11-6-4-3-5-7-11;3-2(4,5)1(6)7/h3-7,10,12H,8-9,15H2,1-2H3,(H,16,18)(H,17,19);(H,6,7)/t12-;/m0./s1 |
| InChI Key | KUOXFVJOMSSDEY-YDALLXLXSA-N |
| MDL Number | MFCD00058483 |
| Molecular Formula | C16H22F3N3O5 |
| Molecular Weight | 393.3582 |
| SMILES | OC(=O)C(F)(F)F.CC(C)C[C@H](N)C(=O)NNC(=O)OCC1=CC=CC=C1 |
| Synonyms | H-LEU-NHNH-Z TFA,
19635-96-2,
(S)-Benzyl 2-(2-amino-4-methylpentanoyl)hydrazinecarboxylate 2,2,2-trifluoroacetate,
H-Leu-NHNH-Z . TFA,
h-leu-nhnh-z tfa, AldrichCPR,
C14H21N3O3.C2HF3O2,
7191AH,
MFCD00058483,
AS-49239,
FT-0771369,
K-5764,
C-46224,
|
| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.363g/mol |
| Monoisotopic Mass | 393.151g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number