| CAS Number | 947401-26-5 |
| Catalog Number | AG00IIHZ(AGN-PC-0WBO5P) |
| Chemical Name | (2R)-5-{[(tert-butoxy)carbonyl]amino}-2-{[(prop-2-en-1-yloxy)carbonyl]amino}pentanoic acid; dicyclohexylamine |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(prop-2-enoxycarbonylamino)pentanoic acid |
| InChI | InChI=1S/C14H24N2O6.C12H23N/c1-5-9-21-13(20)16-10(11(17)18)7-6-8-15-12(19)22-14(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5,10H,1,6-9H2,2-4H3,(H,15,19)(H,16,20)(H,17,18);11-13H,1-10H2/t10-;/m1./s1 |
| InChI Key | QVBIARYBONPERL-HNCPQSOCSA-N |
| MDL Number | MFCD03093486 |
| Molecular Formula | C14H24N2O6 |
| Molecular Weight | 316.3502 |
| SMILES | CC(OC(NCCC[C@@H](C(O)=O)NC(OCC=C)=O)=O)(C)C |
| Synonyms | 947401-26-5,
C14H24N2O6.C12H23N,
Aloc-D-Orn(Boc)-OH DCHA,
6128AH,
MFCD03093486,
Alloc-D-Orn(Boc)-OH DCHA, AldrichCPR,
N-alpha-Allyloxycarbony-N-gamma-(t-butyloxycarbonyl)-D-ornithine dicyclohexylamine,
QVBIARYBONPERL-HNCPQSOCSA-N,
(2R)-5-{[(tert-butoxy)carbonyl]amino}-2-{[(prop-2-en-1-yloxy)carbonyl]amino}pentanoic acid; dicyclohexylamine,
|
| Complexity | 519 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 497.346g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 497.677g/mol |
| Monoisotopic Mass | 497.346g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number