| CAS Number | 13665-13-9 |
| Catalog Number | AG009DNN(AGN-PC-0PKZKO) |
| Chemical Name | Z-Orn(Boc)-OH DCHA |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanoic acid |
| InChI | InChI=1S/C18H26N2O6.C12H23N/c1-18(2,3)26-16(23)19-11-7-10-14(15(21)22)20-17(24)25-12-13-8-5-4-6-9-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22);11-13H,1-10H2/t14-;/m0./s1 |
| InChI Key | DZDMNVANCXRHHF-UQKRIMTDSA-N |
| MDL Number | MFCD00270629 |
| Molecular Formula | C30H49N3O6 |
| Molecular Weight | 547.7266 |
| SMILES | C1CCC(CC1)NC1CCCCC1.OC(=O)[C@@H](NC(=O)OCc1ccccc1)CCCNC(=O)OC(C)(C)C |
| Synonyms | Z-ORN(BOC)-OH DCHA,
13665-13-9,
7947AH,
MFCD00270629,
C18H26N2O6.C12H23N,
AKOS024259140,
K-4389,
N5-[(1,1-Dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-ornithine dicyclohexylammonium salt,
|
| Complexity | 585 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 547.362g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 547.737g/mol |
| Monoisotopic Mass | 547.362g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number