| CAS Number | 88319-45-3 |
| Catalog Number | AG00GTTX(AGN-PC-0VKNRA) |
| Chemical Name | Z-Beta-Tbu-Ala-OH DCHA |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2S)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoic acid |
| InChI | InChI=1S/C15H21NO4.C12H23N/c1-15(2,3)9-12(13(17)18)16-14(19)20-10-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18);11-13H,1-10H2/t12-;/m0./s1 |
| InChI Key | HCOBXGOAUPHPDQ-YDALLXLXSA-N |
| MDL Number | MFCD02259500 |
| Molecular Formula | C27H44N2O4 |
| Molecular Weight | 460.6493 |
| SMILES | C1CCC(CC1)NC1CCCCC1.O=C(N[C@H](C(=O)O)CC(C)(C)C)OCc1ccccc1 |
| Synonyms | Z-BETA-TBU-ALA-OH DCHA,
88319-45-3,
Z--tBu-Ala-OH DCHA,
Z-Neopentylgly-OH DCHA;Z--Me-Leu-OH DCHA;Z-Tba-OH DCHA,
C15H21NO4.C12H23N,
7864AH,
KM2600,
MFCD02259500,
Z-b-tBu-Ala-OH . DCHA,
HCOBXGOAUPHPDQ-YDALLXLXSA-N,
Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-4,4-dimethylpentanoate,
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| Complexity | 445 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 460.33g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 460.659g/mol |
| Monoisotopic Mass | 460.33g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number